SCHEMBL19084259

SCHEMBL19084259

CCc1ccc(Oc2ccc(CC(C)(CC)CC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MAPT P10636 3/20 0.44
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
ST14 Q9Y5Y6 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
LTA4H P09960 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
SCHEMBL15250832 0.88 TAAR1 (0.46) SMN1; SMN2TAAR1ALDH1A1MAPK1LMNA
SCHEMBL19084312 0.85 NPC1 (0.44) NPC1RAB9AMAPTS1PR1S1PR3
SCHEMBL18686307 0.84 ESR1 (0.48) NPC1RAB9AMAPTS1PR1S1PR3
SCHEMBL15161133 0.82 TAAR1 (0.41) S1PR1TAAR1ALDH1A1
SCHEMBL475215 0.81 SMN1; SMN2 (0.48) NPC1RAB9AMAPTSMN1; SMN2TAAR1
SCHEMBL8925998 0.81 SMN1; SMN2 (0.48) NPC1RAB9AMAPTSMN1; SMN2TAAR1
SCHEMBL20132787 0.79 TSHR (0.49) ALDH1A1LMNA
SCHEMBL22452114 0.77 TAAR1 (0.38) S1PR1S1PR3SMN1; SMN2TAAR1ALDH1A1
SCHEMBL20805343 0.76 RAB9A (0.59) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL10030389 0.76 MAPT (0.47) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1

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
WO-2017115978-A1 ORGANIC FILM COMPOSITION AND PATTERN FORMING METHOD 삼성에스디아이 주식회사 2017-07-06 WO disclosed