SCHEMBL11540405

SCHEMBL11540405

COC(=O)c1cc(OCC2CO2)c2cc[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 4/20 0.38
GLA P06280 2/20 0.38
CREBBP Q92793 1/20 0.38
CFB P00751 2/20 0.37
MAPK1 P28482 1/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 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
SCHEMBL2962999 0.81 CREBBP (0.44) NPC1CREBBPMAPK1KMT2AKDM4E
SCHEMBL10593413 0.79 ALDH1A1 (0.48) ALDH1A1GLAHPGDKMT2AGAA
SCHEMBL16382501 0.79 TSHR (0.43) ALDH1A1GLAHPGDKMT2AKDM4E
SCHEMBL3567460 0.78 TUBB4A (0.49) NPC1ALDH1A1CREBBPHPGDKMT2A
SCHEMBL11451085 0.77 RHEB (0.42) MTORALDH1A1GLACFBHPGD
SCHEMBL16382499 0.76 LMNA (0.54) ALDH1A1GLAHPGDKDM4EGAA
SCHEMBL6868530 0.76 HPGD (0.55) NPC1ALDH1A1HPGDKMT2AKDM4E
SCHEMBL11591618 0.75 MAPT (0.55) NPC1ALDH1A1MAPK1HPGDKMT2A
SCHEMBL6870413 0.75 CREBBP (0.39) MTORNPC1ALDH1A1CREBBPKMT2A
SCHEMBL11457182 0.75 VDR (0.38) NPC1ALDH1A1GLAHPGDKMT2A

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-4146630-A HYPOTENSIVE AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1979-03-27 US disclosed