SCHEMBL27907178

SCHEMBL27907178

CCCCC(SOSC(CCCC)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALOX5 P09917 2/20 0.38
▸ PPARG P37231 2/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ HTR2A P28223 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ HRH1 P35367 2/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ AOC3 Q16853 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ PAX8 Q06710 1/20 0.35

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
SCHEMBL2792350 0.93 HTR2A (0.41) ALDH1A1SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL27907190 0.93 HTR2A (0.41) ALDH1A1SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL28256515 0.93 HTR2A (0.41) ALDH1A1SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL18042775 0.89 AOC3 (0.41) POLBSIGMAR1OPRM1OPRD1OPRK1
SCHEMBL15105224 0.82 POLB (0.44) POLBALDH1A1KDM4ESIGMAR1OPRM1
SCHEMBL27716934 0.80 HIF1A (0.41) KDM4EALOX5PPARGPPARAOPRM1
SCHEMBL27503288 0.80 LMNA (0.45) POLBHTR2ALMNAHRH1AOC3
SCHEMBL2166901 0.77 SLC2A1 (0.42) ALDH1A1OPRM1MAPTLMNA
SCHEMBL15105087 0.77 SIGMAR1 (0.43) POLBALDH1A1KDM4ESIGMAR1OPRM1
SCHEMBL27827918 0.76 ALDH1A1 (0.39) POLBALDH1A1KDM4EALOX5PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104093701-B Separation method 旭化成株式会社 2017-05-03 — — CN disclosed
CN-106008269-A POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION 旭化成株式会社 2016-10-12 — — CN disclosed
CN-105924370-A Polyisocyanate Composition And Isocyanate Polymer Composition 旭化成株式会社 2016-09-07 — — CN disclosed
CN-103140473-B The manufacture method of separation method and isocyanates ASAHI KASEI KABUSHIKI KAISHA (JP) 2016-06-01 — — CN disclosed
CN-105358602-A Modified resin and resin composition ASAHI KASEI CHEMICALS CORP 2016-02-24 — — CN disclosed
CN-104619682-A Polyisocyanate composition and isocyanate polymer composition ASAHI KASEI CHEMICALS CORP 2015-05-13 — — CN disclosed
CN-104093701-A Separation method ASAHI KASEI CHEMICALS CORP 2014-10-08 — — CN disclosed
CN-103140473-A Separation method and method for producing isocyanate ASAHI CHEMICAL CORP (JP) 2013-06-05 — — CN disclosed
Send feedback