SCHEMBL9236015

SCHEMBL9236015

CCCOc1cnc(-c2ccc(CCc3ccc(C(=O)O)cc3)cc2)nc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.58
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
RARA P10276 1/20 0.50
MTOR P42345 1/20 0.50
KMT2A Q03164 1/20 0.50
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL2356103 0.86 RARB (0.68) RARBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL9236012 0.85 RARB (0.50) RARBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL8532765 0.83 RARB (0.74) RARBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL9745002 0.83 RARB (0.74) RARBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL9733624 0.83 RARB (0.74) RARBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL8943378 0.83 RARB (0.74) RARBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL9745065 0.83 RARB (0.74) RARBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL9238965 0.83 RARB (0.72) RARBSMN1; SMN2NPC1RAB9ATP53
Hydrochloric Acid SCHEMBL9745273 0.82 RARB (0.72) RARBSMN1; SMN2NPC1RAB9ATP53
Hydrochloric Acid SCHEMBL9744738 0.82 RARB (0.72) RARBSMN1; SMN2NPC1RAB9ATP53

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-5389290-A Ferroelectric liquid crystalline materials MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
US-5089168-A Stable ferroelectric liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-02-18 US disclosed
US-4834904-A FERROELECTRIC LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-30 US disclosed