SCHEMBL8995907

SCHEMBL8995907

CCOc1ccc(C(CCCl)C(=O)N2CCCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.56
L3MBTL1 Q9Y468 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 9/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 4/20 0.48
MAPT P10636 3/20 0.48
KMT2A Q03164 4/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.45
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL8995915 0.81 DPP7 (0.49) HPGDALDH1A1MAPTKMT2ARAB9A
SCHEMBL8655841 0.79 HTR1A (0.52) HPGDKDM4EALDH1A1MAPTKMT2A
SCHEMBL17206663 0.79 ALDH1A1 (0.59) HPGDL3MBTL1ALDH1A1TP53MAPT
SCHEMBL2237437 0.77 ALDH1A1 (0.56) HPGDL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL17206651 0.77 HPGD (0.50) HPGDL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL2240734 0.77 HPGD (0.50) HPGDL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL2235599 0.75 MMP1 (0.53) HPGDL3MBTL1KDM4EALDH1A1TP53
SCHEMBL8995919 0.75 NPC1 (0.49) L3MBTL1KMT2ARAB9APOLBMEN1
SCHEMBL2238451 0.75 ALDH1A1 (0.48) HPGDALDH1A1TP53MAPTKMT2A
SCHEMBL8995908 0.75 HTR1A (0.64) HPGDL3MBTL1KDM4EALDH1A1TP53

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-5541179-A Tropon-2-one piperazine carboxamides as serotonergic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-30 US disclosed