SCHEMBL6945332

SCHEMBL6945332

CCC[C@](C(=O)NN)(c1ccc(C)cc1[C@H](CNC(=O)c1cccs1)C(=O)NOC1CCCCO1)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
TSHR P16473 2/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6946921 0.90
SCHEMBL6943580 0.90 HPGD (0.32) HPGDL3MBTL1CYP3A4CYP2C9CYP2C19
SCHEMBL6940042 0.89 SMN1; SMN2 (0.33) HPGDNPC1RAB9ACYP3A4CYP2C9
SCHEMBL6943242 0.86 L3MBTL1 (0.32) HPGDL3MBTL1NPC1RAB9ACYP1A2
SCHEMBL6938018 0.86 CCR3 (0.33) ALDH1A1KDM4EMAPT
SCHEMBL6940036 0.84 TSHR (0.38) HPGDL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL6946104 0.83 TGFBR1 (0.31) TGFBR1
SCHEMBL6946850 0.82 TGFBR1 (0.31) TGFBR1
SCHEMBL7131174 0.81 ALDH1A1 (0.32) HPGDALDH1A1KDM4ETGFBR1MEN1
SCHEMBL6946176 0.81 TGFBR1 (0.33) TGFBR1

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-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed