SCHEMBL868923

SCHEMBL868923

c1ccc(C2(C3(c4ccccc4)CCCCC3)CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A3 Q01959 2/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
CYP2B6 P20813 1/20 0.50
PRCP P42785 1/20 0.50
GRIN1 Q05586 1/20 0.50
KCNH2 Q12809 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
DPP4 P27487 1/20 0.48
AKR1C1 Q04828 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL869351 0.97 DPP4 (0.50) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL9508534 0.84 AKR1C1 (0.45) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL930218 0.84 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL28362050 0.79 AKR1C1 (0.55) AKR1C1
SCHEMBL10346570 0.79 SLC6A2 (0.46) SLC6A4SLC6A2SLC6A3GRIN1GRIN2A
Hydrochloric Acid SCHEMBL10323225 0.79 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL24157288 0.78 ESR1 (0.58) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL30078304 0.78 ESR1 (0.58) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL30877914 0.78 ESR1 (0.58) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL28378542 0.78 ESR1 (0.58) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406307-B1 STYRENIC POLYMER COMPOSITION ICL IP AMERICA INC (US) 2012-12-12 EP claimed
US-20120123007-A1 STYRENIC POLYMER COMPOSITION ICL-IP AMERICA INC. 2012-05-17 US claimed
US-7585912-B2 Flame-retardant polystyrenes BROMINE COMPOUNDS LTD. (IL) 2009-09-08 US claimed
EP-1786853-B1 NOVEL FLAME-RETARDANT POLYSTYRENES BROMINE COMPOUNDS LTD (IL) 2009-04-15 EP claimed
JP-2008506829-A 2008-03-06 JP claimed
US-20070257241-A1 Novel Flame-Retardant Polystyrenes BROMINE COMPOUNDS LTD. (IL) 2007-11-08 US claimed
EP-1786853-A1 NOVEL FLAME-RETARDANT POLYSTYRENES Bromine Compounds Ltd. (IL) 2007-05-23 EP claimed
WO-2006013554-A1 NOVEL FLAME-RETARDANT POLYSTYRENES BROMINE COMPOUNDS LTD. (IL) 2006-02-09 WO claimed
US-6967229-B2 Carbon-carbon initiators for use in golf balls ACUSHNET COMPANY (US) 2005-11-22 US claimed
US-20050009992-A1 Carbon-carbon initiators for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-01-13 US claimed
CN-104250221-B The method of the concentrated mixture containing organic hydroperoxide EXXON CHEMICAL PATENTS INC. (US) 2016-04-27 CN disclosed
CN-105418400-A Process and system for making cyclohexanone EXXONMOBIL CHEMICAL PATENTS INC 2016-03-23 CN disclosed
US-9056227-B2 Golf ball comprising a core having a shallow hardness gradient ACUSHNET COMPANY (US) 2015-06-16 US disclosed
CN-204198640-U The device of the concentrated mixture containing organic hydroperoxide EXXONMOBIL CHEM PATENTS INC 2015-03-11 CN disclosed
US-8968117-B2 Dual-core comprising zero gradient center and positive gradient outer core layer ACUSHNET COMPANY (US) 2015-03-03 US disclosed
US-4311636-A Flame-retardant thermoplastic materials and molded parts therefrom BASF AKTIENGESELLSCHAFT (DE) 1982-01-19 US disclosed
EP-0004050-B1 FLAME-PROTECTED EXPANDABLE STYRENE POLYMERS USEFUL IN FOAM PREPARATION BASF Aktiengesellschaft (DE) 1981-11-25 EP disclosed
US-4272583-A Flameproofed expandable styrene polymers BASF AKTIENGESELLSCHAFT (US) 1981-06-09 US disclosed
EP-0012340-A1 Self-extinguishing thermoplastic moulding compositions and shaped articles made therefrom BASF Aktiengesellschaft (DE) 1980-06-25 EP disclosed
EP-0004050-A1 Flame-protected expandable styrene polymers useful in foam preparation BASF Aktiengesellschaft (DE) 1979-09-19 EP disclosed