SCHEMBL9736148

SCHEMBL9736148

COCC1(C)Oc2ccc(Br)cc2C(OC2=CC(=O)CC2)C1O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IDO1 P14902 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PBRM1 Q86U86 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 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
SCHEMBL9845071 0.91 XIAP (0.33) XIAPSMN1; SMN2IDO1
SCHEMBL9737241 0.85 CA12 (0.36) SMN1; SMN2IDO1MEN1KMT2APOLB
SCHEMBL9736978 0.85 ABCC9 (0.43) MEN1KMT2A
SCHEMBL9845066 0.82 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL9735702 0.81 PBRM1 (0.31) IDO1PBRM1
SCHEMBL9736733 0.78 IDO1 (0.34) XIAPSMN1; SMN2IDO1
SCHEMBL9736155 0.78 XIAP (0.32) XIAPSMN1; SMN2IDO1ALDH1A1MEN1
SCHEMBL9736485 0.78 IDO1 (0.32) XIAPSMN1; SMN2IDO1
SCHEMBL9735180 0.77 HTR2B (0.33) XIAPSMN1; SMN2IDO1ALDH1A1MEN1
SCHEMBL9845023 0.76 CA12 (0.34) SMN1; SMN2IDO1ALDH1A1KMT2APOLB

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