SCHEMBL6938018

SCHEMBL6938018

CCC[C@](C(=O)NN)(c1ccc(C)cc1[C@H](CNC(=O)Nc1ccccc1)C(=O)NOC1CCCCO1)S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.33
IDH2 P48735 3/20 0.32
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 2/20 0.30
ESRRA P11474 1/20 0.30
PTPN1 P18031 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 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
SCHEMBL6945332 0.86 HPGD (0.34) ALDH1A1KDM4EMAPT
SCHEMBL6939946 0.84 NPC1 (0.36) ALDH1A1ESRRAPTPN1MAPT
SCHEMBL6946921 0.84
SCHEMBL6943242 0.84 L3MBTL1 (0.32) ALDH1A1KDM4EMAPT
SCHEMBL6946104 0.84 TGFBR1 (0.31)
SCHEMBL6940042 0.83 SMN1; SMN2 (0.33) ALDH1A1MAPT
SCHEMBL8099189 0.82
SCHEMBL6941637 0.81 NPC1 (0.34) ALDH1A1ESRRAPTPN1KDM4EMAPT
SCHEMBL6942383 0.80 TGFBR1 (0.32)
SCHEMBL6946850 0.78 TGFBR1 (0.31)

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 4 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
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed