SCHEMBL9507001

SCHEMBL9507001

CC(C)(C)N(O)C(=O)c1ccccc1CCCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.44
ADRB2 P07550 1/20 0.44
HTT P42858 1/20 0.44
BID P55957 1/20 0.43
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
BAK1 Q16611 1/20 0.43
LTB4R Q15722 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
KDM4A O75164 1/20 0.43
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
PHF8 Q9UPP1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
CYP2D6 P10635 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
SCHEMBL27671409 0.99 BID (0.46) ALOX5POLBSMN1; SMN2HPGDALDH1A1
SCHEMBL9504375 0.84 ALOX5 (0.58) ALOX5POLBSMN1; SMN2HPGDALDH1A1
SCHEMBL9504787 0.81 ALOX5 (0.50) ALOX5POLBKMT2A
SCHEMBL11710027 0.76 FOLH1 (0.61) POLBSMN1; SMN2HPGDALDH1A1ADRB2
SCHEMBL3280275 0.76 TP53 (0.45) POLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL11843011 0.74 ALDH1A1 (0.47) ALOX5SMN1; SMN2HPGDALDH1A1ADRB2
SCHEMBL29410986 0.73 BID (0.51) POLBSMN1; SMN2HPGDALDH1A1ADRB2
SCHEMBL17554515 0.73 BID (0.46) SMN1; SMN2HPGDALDH1A1ADRB2HTT
SCHEMBL20162476 0.73 FOLH1 (0.61) SMN1; SMN2ALDH1A1ADRB2BIDBCL2L1
SCHEMBL10641307 0.72 SLC16A3 (0.52) ALOX5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed