SCHEMBL17737942

SCHEMBL17737942

COc1c(C)cc(Oc2ccc(C(C)(C)c3ccc(Oc4cc(C)c(OC)c(C)c4)cc3)cc2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ HPGD P15428 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ ESR1 P03372 2/20 0.37
▸ TSHR P16473 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37

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
SCHEMBL12586167 0.83 PTPN1 (0.45) ALDH1A1PTPN1ESR1THRATHRB
SCHEMBL17879957 0.83 LTA4H (0.41) MAPTHPGDALDH1A1RAB9ANPC1
SCHEMBL17879995 0.83 LTA4H (0.41) MAPTHPGDALDH1A1RAB9ANPC1
SCHEMBL17879953 0.81 ESR1 (0.42) MAPTHPGDALDH1A1RAB9ANPC1
SCHEMBL30436898 0.81 ESR1 (0.42) MAPTHPGDALDH1A1RAB9ANPC1
SCHEMBL25620251 0.80 PTPN1 (0.46) MAPTALDH1A1PTPN1TUBB4ATUBB
SCHEMBL14802294 0.80 ESR1 (0.47) MAPTHPGDALDH1A1RAB9ANPC1
SCHEMBL47863 0.79 KMT2A (0.49) MAPTHPGDALDH1A1RAB9ANPC1
SCHEMBL30399915 0.78 LTA4H (0.56) MAPTHPGDALDH1A1RAB9ANPC1
SCHEMBL25986532 0.78 LTA4H (0.56) MAPTHPGDALDH1A1RAB9ANPC1

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
US-20160130406-A1 STRUCTURE OF PHOSPHOROUS-CONTAINING FUNCTIONALIZED POLY(ARYLENE ETHER) AND COMPOSITIONS PREPARED THEREFROM Jiangsu Yoke Technology Co., Ltd (CN) 2016-05-12 — — US disclosed
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