SCHEMBL6943580

SCHEMBL6943580

CCC[C@](C(=O)NN)(c1ccc(C)cc1[C@H](CNC(=O)c1ccccc1)C(=O)NOC1CCCCO1)S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.32
P2RX3 P56373 1/20 0.32
ALOX12 P18054 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
TGFBR1 P36897 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 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
SCHEMBL6938018 0.91 CCR3 (0.33) ALDH1A1MAPT
SCHEMBL6945332 0.90 HPGD (0.34) HPGDALDH1A1MAPTTGFBR1SMN1; SMN2
SCHEMBL6943242 0.88 L3MBTL1 (0.32) HPGDALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL6946921 0.88
SCHEMBL6946176 0.86 TGFBR1 (0.33) P2RX3TGFBR1
SCHEMBL6946104 0.85 TGFBR1 (0.31) TGFBR1
SCHEMBL7131174 0.84 ALDH1A1 (0.32) HPGDALDH1A1TGFBR1
SCHEMBL6940050 0.84 CTSB (0.32) P2RX3TGFBR1L3MBTL1
SCHEMBL6940042 0.84 SMN1; SMN2 (0.33) HPGDALDH1A1MAPTSMN1; SMN2ATM
SCHEMBL6940210 0.84 ALDH1A1 (0.34) ALOX12NPSR1ALDH1A1MAPTSMN1; 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-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