SCHEMBL9741124

SCHEMBL9741124

COCC1(C)CC(Oc2ccc(=O)n(C)n2)c2cc(Br)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 7/20 0.33
TRPV1 Q8NER1 2/20 0.32
IDO1 P14902 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
PKM P14618 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
BACE1 P56817 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9740322 0.86 ABCB1 (0.39) LMNA
SCHEMBL9739833 0.86 MAPT (0.37) TRPV1ALDH1A1LMNAHTTPKM
SCHEMBL9739212 0.85 IDO1 (0.35) TRPV1IDO1ALDH1A1LMNASMN1; SMN2
SCHEMBL9735180 0.83 HTR2B (0.33) HTR2BTRPV1IDO1ALDH1A1PKM
SCHEMBL9740513 0.82 HTR2B (0.33) HTR2BTRPV1ALDH1A1PKMSMN1; SMN2
SCHEMBL9737313 0.79 PKM (0.31) HTR2BPKMSMN1; SMN2HIF1ABACE1
SCHEMBL8541429 0.79 MAPT (0.33) HTR2BPKMSMN1; SMN2HIF1A
SCHEMBL7332443 0.75 ABCC9 (0.36) HTR2BTRPV1ALDH1A1LMNAPKM
SCHEMBL9150597 0.74 TRPV1 (0.34) HTR2BTRPV1ALDH1A1LMNAHTT
SCHEMBL7332464 0.73 HTR2B (0.34) HTR2BPKMSMN1; SMN2HIF1A

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