SCHEMBL8440327

SCHEMBL8440327

Cc1ccc(CCCCCCNC(=O)CN2C(=O)CC2S(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.44
RAB9A P51151 1/20 0.43
KMT2A Q03164 3/20 0.43
TP53 P04637 3/20 0.43
PKM P14618 1/20 0.43
FKBP1A P62942 2/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
GFER P55789 1/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8442243 0.94 TRPV1 (0.49) TRPV1KMT2AFKBP1AALDH1A1POLB
SCHEMBL8522522 0.91 MEN1 (0.47) TRPV1KMT2ATP53FKBP1AALDH1A1
SCHEMBL8521282 0.91 MEN1 (0.47) TRPV1KMT2ATP53FKBP1AALDH1A1
SCHEMBL8521285 0.91 MEN1 (0.47) TRPV1KMT2ATP53FKBP1AALDH1A1
SCHEMBL8442958 0.91 MAPT (0.47) TRPV1RAB9AKMT2AFKBP1APOLB
SCHEMBL8549758 0.89 TRPV1 (0.44) TRPV1KMT2AFKBP1AALDH1A1POLB
SCHEMBL8554153 0.87 HPGD (0.46) FKBP1AALDH1A1POLBLMNAHPGD
SCHEMBL8443146 0.86 LMNA (0.41) TRPV1TP53FKBP1AALDH1A1POLB
SCHEMBL8438725 0.86 TRPV1 (0.41) TRPV1KMT2ATP53FKBP1AALDH1A1
SCHEMBL8104169 0.85 TRPV1 (0.50) TRPV1KMT2AALDH1A1POLBLMNA

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
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US claimed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO claimed
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed