SCHEMBL9842987

SCHEMBL9842987

CC1(C)C=C(c2ccccc2)CC(C)(C)C1(OC#N)OC#N

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 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
SCHEMBL7032038 0.70 NPC1 (0.41) NPC1RAB9AALDH1A1LMNAHPGD
Methane SCHEMBL28793204 0.69 NPC1 (0.40) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL21242653 0.63 NPC1 (0.43) NPC1RAB9AALDH1A1LMNAHPGD
Methane SCHEMBL28832437 0.61 NPC1 (0.36) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL28559871 0.60 HPGD (0.36) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL14491867 0.59 NPC1 (0.43) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL12200085 0.59 KDM1A (0.39) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL21523846 0.54 SIGMAR1 (0.41) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL21242823 0.54 NPC1 (0.35) NPC1RAB9AALDH1A1LMNAHPGD
Biphenyl SCHEMBL1153864 0.54 ALDH1A1 (0.60) NPC1RAB9AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413087-A1 Photosensitive composition and use thereof International Business Machines Corporation (US) 1991-02-20 EP disclosed