SCHEMBL9340799

SCHEMBL9340799

CCCCCCCCCCOC(=O)C(C)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 2/20 0.57
TSHR P16473 2/20 0.57
ALDH1A1 P00352 2/20 0.57
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
GPR88 Q9GZN0 1/20 0.51
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL2294696 1.00 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL11699142 1.00 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL28183029 1.00 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL2294971 1.00 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL27949445 1.00 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL2291006 0.98 NPC1 (0.57) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL13156906 0.98 NPC1 (0.57) NPC1RAB9ASMN1; SMN2LMNATSHR
Toluene SCHEMBL27679037 0.94 NPC1 (0.53) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL15896735 0.93 TSHR (0.54) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL13156984 0.93 TSHR (0.54) NPC1RAB9ASMN1; SMN2LMNATSHR

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
EP-0294220-B1 Photopolymerizable composition HITACHI CHEMICAL CO LTD (JP) 1994-05-25 EP disclosed
US-5034429-A An unsaturated monomer, a photoinitiator and a benzene derivative for providing a cured film HITACHI CHEMICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0294220-A2 Photopolymerizable composition Hitachi Chemical Co., Ltd. (JP) 1988-12-07 EP disclosed