SCHEMBL12924296

SCHEMBL12924296

CCCCc1ccc(-c2cc3c(s2)-c2ccc4c5c(ccc-3c25)-c2sc(-c3ccc(CCCC)cc3)cc2-4)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 7/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HSD11B1 P28845 1/20 0.36
▸ GPR84 Q9NQS5 1/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ NISCH Q9Y2I1 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SKP2 Q13309 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
SCHEMBL12924312 1.00 RARB (0.39) RARBRAB9AKDM4EHSD11B1GPR84
SCHEMBL12924222 0.89 HSD11B1 (0.40) RARBRAB9AHSD11B1SMN1; SMN2NPC1
SCHEMBL12924369 0.87 RARB (0.36) RARBRAB9AKDM4EALDH1A1
SCHEMBL12924328 0.81 HSD17B1 (0.35) RAB9AKDM4EHSD11B1ALDH1A1HPGD
SCHEMBL12924340 0.81 HSD17B1 (0.35) RAB9AKDM4EHSD11B1ALDH1A1HPGD
SCHEMBL12924376 0.79 MAPK14 (0.32) RARBRAB9AESR1ESR2NPC1
SCHEMBL12924264 0.78 LMNA (0.39) RAB9AKDM4EESR1ESR2SMN1; SMN2
SCHEMBL12924339 0.78 RARB (0.32) RARBESR1ESR2
SCHEMBL12924404 0.76 — —
SCHEMBL12924298 0.76 ESR1 (0.42) KDM4EHSD17B10ALDH1A1HPGDESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8294144-B2 Organic transistor YAMAMOTO CHEMICALS, INC. (JP) 2012-10-23 — — US disclosed
US-20110012098-A1 ORGANIC TRANSISTOR YAMAMOTO CHEMICALS, INC. (JP) 2011-01-20 — — US disclosed
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