SCHEMBL9654043

SCHEMBL9654043

C=C(C)c1cccc(CO)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.48
CD274 Q9NZQ7 3/20 0.48
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 3/20 0.33
EDNRA P25101 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31

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
SCHEMBL16952128 0.83 PDCD1 (0.52) PDCD1CD274CYP3A4CYP2C19APOBEC3G
SCHEMBL1066307 0.81 LMNA (0.43) PDCD1CD274CYP3A4CYP2C19APOBEC3G
SCHEMBL14826755 0.80 GABRA1 (0.40) PDCD1CD274CYP3A4CYP2C19APOBEC3G
SCHEMBL6424004 0.78 PDCD1 (0.64) PDCD1CD274APOBEC3GMEN1KMT2A
SCHEMBL1979885 0.77 PTK2B (0.36) PDCD1CD274CYP3A4CYP2C19APOBEC3G
SCHEMBL2652419 0.76 PDCD1 (0.53) PDCD1CD274CYP3A4CYP2C9LMNA
SCHEMBL2887974 0.74 PDCD1 (0.47) PDCD1CD274CYP3A4LMNAGAA
SCHEMBL29407046 0.74 TRPA1 (0.46) CYP3A4CYP2C9LMNAHPGDMEN1
SCHEMBL715998 0.74 TRPA1 (0.46) CYP3A4CYP2C9LMNAHPGDMEN1
SCHEMBL29473783 0.72 TRPA1 (0.50) CYP3A4EDNRALMNAHPGDL3MBTL1

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
US-5147645-A Insecticides, miticides, nematocides BASF AKTIENGESELLSCHAFT (DE) 1992-09-15 US disclosed
EP-0347694-B1 PYRETHROIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN COMBATING PESTS BASF Aktiengesellschaft (DE) 1992-08-26 EP disclosed
EP-0347694-A1 Pyrethroids, process for their preparation and their use in combating pests BASF Aktiengesellschaft (DE) 1989-12-27 EP disclosed