SCHEMBL9740200

SCHEMBL9740200

O=C1C[C@@H](Cc2ccccc2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
CTRB1 P17538 1/20 0.41
TSHR P16473 3/20 0.41
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
HTT P42858 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
FASN P49327 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL638641 1.00 MAOB (0.45) MAOBDDB1CRBNKMT2AALDH1A1
SCHEMBL9218388 0.82 L3MBTL1 (0.44) KMT2AALDH1A1RAB9AMEN1USP2
SCHEMBL31121820 0.82 TSHR (0.35) MAOBALDH1A1CTRB1TSHRL3MBTL1
SCHEMBL11754574 0.82 MAOB (0.43) MAOBDDB1CRBNKMT2AALDH1A1
SCHEMBL7610527 0.82 ALDH1A1 (0.41) DDB1CRBNKMT2AALDH1A1NPC1
SCHEMBL25252980 0.82 MAOB (0.46) MAOBKMT2AALDH1A1MEN1TSHR
SCHEMBL60686 0.82 FASN (0.45) MAPTFASN
SCHEMBL7434587 0.81 MAOB (0.47) MAOBDDB1CRBNKMT2AALDH1A1
SCHEMBL7431763 0.81 MAOB (0.47) MAOBDDB1CRBNKMT2AALDH1A1
SCHEMBL7431760 0.81 MAOB (0.47) MAOBDDB1CRBNKMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US disclosed
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 EP disclosed