SCHEMBL7934565

SCHEMBL7934565

C=CC(C)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.54
ESR2 Q92731 8/20 0.54
PDCD1 Q15116 1/20 0.54
CD274 Q9NZQ7 1/20 0.54
MAPT P10636 4/20 0.43
CYP3A4 P08684 3/20 0.43
ALOX15 P16050 3/20 0.43
LMNA P02545 2/20 0.43
CYP2C9 P11712 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 1/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
AR P10275 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
PTGS1 P23219 1/20 0.43

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
SCHEMBL4107537 0.80 TYR (0.46) LMNACYP2C9CYP2D6PTGS1KDM4E
SCHEMBL28969167 0.78 ESR1 (0.56) ESR1ESR2PDCD1CD274MAPT
SCHEMBL16166848 0.78 CHRNA7 (0.41) TDP1ALDH1A1MEN1NPC1CA1
SCHEMBL28969210 0.78 ESR1 (0.56) ESR1ESR2PDCD1CD274MAPT
SCHEMBL13827629 0.77 ESR1 (0.50) ESR1ESR2PDCD1CD274MAPT
SCHEMBL23368022 0.76 IDO1 (0.38) LMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL16234244 0.76 CYP2C19 (0.41) MAPTCYP3A4LMNACYP2C9CYP1A2
SCHEMBL28419452 0.76 CHRNA7 (0.39) TDP1ALDH1A1MEN1NPC1CA1
SCHEMBL10410615 0.76 ADRB2 (0.50) LMNATDP1CHRM2CYP2D6CHRM1
SCHEMBL16234245 0.76 ADRB2 (0.50) LMNATDP1CHRM2CYP2D6CHRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626309-B1 Hologram recording material, hologram recording method and holographic optical element FUJIFILM CORP (JP) 2011-07-27 EP disclosed
US-6320013-B1 HEATING: A HEAVY OIL OR PITCH OF GIVEN AVERAGE MOLECULAR WEIGHT; FORMALDEHYDE OR A FORMALDEHYDE PRECURSOR; AND AN ALLYLPHENOL WITH STIRRING IN THE PRESENCE OF AN ACID CATALYST KASHIMA OIL CO., LTD. (JP) 2001-11-20 US disclosed
EP-1055690-A1 PROCESS FOR PRODUCING MODIFIED PHENOLIC RESIN Kashima oil Co., Ltd. (JP) 2000-11-29 EP disclosed