SCHEMBL7898666

SCHEMBL7898666

CCC(Br)C(=O)c1cccc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
KMT2A Q03164 5/20 0.47
POLB P06746 3/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 3/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NFE2L2 Q16236 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL5310471 0.86 CTSD (0.51) HPGDKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14903555 0.83 HPGD (0.49) HPGDKMT2APOLBNPC1RAB9A
SCHEMBL10641160 0.82 USP2 (0.51) HPGDKMT2APOLBNPC1RAB9A
SCHEMBL28924776 0.79 HPGD (0.46) HPGDKMT2APOLBNPC1RAB9A
SCHEMBL3661643 0.76 HPGD (0.54) HPGDKMT2APOLBNPC1RAB9A
Alcohol SCHEMBL27668805 0.76 NPC1 (0.55) HPGDKMT2APOLBNPC1RAB9A
SCHEMBL3762150 0.75 RAB9A (0.55) HPGDKMT2APOLBNPC1RAB9A
SCHEMBL1850967 0.74 HPGDS (0.55) HPGDKMT2APOLBNPC1RAB9A
Hydrochloric Acid SCHEMBL27759786 0.74 HPGD (0.52) HPGDKMT2APOLBNPC1RAB9A
SCHEMBL5313314 0.74 TAS1R3 (0.49) HPGDKMT2ANPC1RAB9ASMN1; SMN2

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
EP-1107753-A1 MULTIVALENT AGONISTS, PARTIAL AGONISTS, INVERSE AGONISTS AND ANTAGONISTS OF THE 5HT2 RECEPTORS Advanced Medicine, Inc. (US) 2001-06-20 EP disclosed
WO-1999063996-A1 MULTIVALENT AGONISTS, PARTIAL AGONISTS, INVERSE AGONISTS AND ANTAGONISTS OF THE 5HT2 RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed