SCHEMBL13263785

SCHEMBL13263785

Bc1ccc(OCC)cc1[C@@H](C)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ NQO1 P15559 1/20 0.45
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 3/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL14703043 0.81 ADRA2A (0.49) MEN1KMT2AHTTAKR1C3AKR1C2
SCHEMBL13265121 0.80 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL6745102 0.79 MEN1 (0.47) MEN1KMT2AHTTNQO1AKR1C3
SCHEMBL6741564 0.79 MEN1 (0.47) MEN1KMT2AHTTNQO1AKR1C3
SCHEMBL13265072 0.76 MEN1 (0.44) MEN1KMT2AHTTNQO1AKR1C3
SCHEMBL24496714 0.75 MEN1 (0.50) MEN1KMT2AHTTNQO1AKR1C3
SCHEMBL15959109 0.74 CARM1 (0.42) MEN1KMT2AKDM4ELTA4HNPC1
SCHEMBL14077246 0.73 NQO1 (0.52) MEN1KMT2ANQO1KDM4ELTA4H
SCHEMBL10187093 0.73 NQO1 (0.52) MEN1KMT2ANQO1KDM4ELTA4H
SCHEMBL10187262 0.72 NQO1 (0.50) MEN1KMT2ANQO1KDM4ELTA4H

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-2010074089-A1 INDANYL COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 — — WO disclosed
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