SCHEMBL9740513

SCHEMBL9740513

COCC1(C)Oc2ccc(Br)cc2C(Oc2ccc(=O)n(C)n2)C1C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 10/20 0.33
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
BACE1 P56817 1/20 0.31
MEN1 O00255 2/20 0.30
ALDH1A1 P00352 2/20 0.30
KMT2A Q03164 2/20 0.30
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL9735180 0.91 HTR2B (0.33) HTR2BPKMSMN1; SMN2HIF1ABACE1
SCHEMBL9740550 0.86 ABCB1 (0.39)
SCHEMBL9739194 0.86 MAPT (0.35) SMN1; SMN2HIF1AMEN1ALDH1A1KMT2A
SCHEMBL9739946 0.85 AXL (0.33) SMN1; SMN2MEN1ALDH1A1KMT2AMAPT
SCHEMBL8541429 0.84 MAPT (0.33) HTR2BPKMSMN1; SMN2HIF1AMAPT
SCHEMBL9741124 0.82 HTR2B (0.33) HTR2BPKMSMN1; SMN2HIF1ABACE1
SCHEMBL7332443 0.80 ABCC9 (0.36) HTR2BPKMSMN1; SMN2HIF1AMEN1
SCHEMBL9737313 0.79 PKM (0.31) HTR2BPKMSMN1; SMN2HIF1ABACE1
SCHEMBL9736573 0.78 MAPT (0.36) SMN1; SMN2HIF1AMEN1ALDH1A1KMT2A
SCHEMBL9735710 0.78 AXL (0.34) SMN1; SMN2MEN1ALDH1A1KMT2AMAPT

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-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed