SCHEMBL8974440

SCHEMBL8974440

COCOc1cccc2cccc(C(C)C)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN2 Q9H2S1 5/20 0.40
KCNN3 Q9UGI6 5/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ELANE P08246 1/20 0.38
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
PTPN1 P18031 1/20 0.35
FAAH O00519 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL11926107 0.84 PTPN1 (0.41) CYP1A2CYP3A4MEN1RECQLKMT2A
SCHEMBL13391679 0.80 LPAR1 (0.43) KCNN2KCNN3CYP1A2CYP3A4MEN1
SCHEMBL1446331 0.80 KMT2A (0.51) CYP1A2CYP3A4MEN1CYP2C9CYP2C19
SCHEMBL8974681 0.75 KDM4E (0.39) MEN1RECQLKMT2AL3MBTL1ELANE
SCHEMBL30676967 0.74 PTPN1 (0.40) CYP1A2CYP3A4MEN1CYP2C9CYP2C19
SCHEMBL9170583 0.73 GABRA1 (0.52) KCNN2KCNN3CYP1A2CYP3A4CYP2C9
SCHEMBL8974556 0.72 ELANE (0.39) MEN1RECQLKMT2AELANEPTPN1
SCHEMBL25536876 0.72 KCNN4 (0.34) CYP1A2CYP3A4MEN1KMT2AL3MBTL1
SCHEMBL30033709 0.72 KCNN4 (0.34) CYP1A2CYP3A4MEN1KMT2AL3MBTL1
SCHEMBL22914881 0.72 ADRB2 (0.48) CYP1A2MEN1CYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5527948-A SUBSTITUTED NAPHTHYL-ALKENOIC ACIDS FOR TREATING AUTOIMMUNE DISORDERS EISAI CORP. LTD. (JP) 1996-06-18 US disclosed
CN-1027064-C Naphthalene derivatives EISAI CO LTD (JP) 1994-12-21 CN disclosed
US-5298649-A Antiinflammatory agents, rheumatic agents and treatment of autoimmune diseases EISAI CO., LTD. (JP) 1994-03-29 US disclosed
EP-0376288-B1 Naphthalene derivative EISAI CO LTD (JP) 1994-03-09 EP disclosed
US-5134111-A Inhibitors of interleukin-1 as antiinflammatory agents EISAI CO., LTD. (JP) 1992-07-28 US disclosed
CN-1043696-A NAPHTHALENE DERIVATIVES EISAI CO LTD (JP) 1990-07-11 CN disclosed
EP-0376288-A1 Naphthalene derivative Eisai Co., Ltd. (JP) 1990-07-04 EP disclosed