SCHEMBL7724359

SCHEMBL7724359

Cc1ccc(S(=O)(=O)OCCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CDK7 P50613 1/20 0.49
CCNH P51946 1/20 0.49
CCNA1 P78396 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 3/20 0.46
TAAR1 Q96RJ0 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL1579408 0.93 FFAR1 (0.47) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL17023751 0.88 BCHE (0.43) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL6654396 0.87 TAAR1 (0.46) MAPTTAAR1ALOX5IDO1
SCHEMBL18289526 0.86 CYP19A1 (0.50) MEN1KMT2ABCHEACHE
SCHEMBL6311561 0.84 BCHE (0.55) LMNASMN1; SMN2MAPTTAAR1MEN1
SCHEMBL7723991 0.83 ALDH1A1 (0.46) MAPTTAAR1BCHEACHEALDH1A1
SCHEMBL9016833 0.81 TAAR1 (0.53) FFAR4TAAR1MEN1KMT2AALOX5
SCHEMBL8206287 0.80 LMNA (0.46) LMNASMN1; SMN2MAPTTAAR1BCHE
SCHEMBL8098024 0.80 EGFR (0.51) TAAR1MEN1KMT2ABCHEACHE
SCHEMBL15543413 0.80 MAPK1 (0.43) LMNASMN1; SMN2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6468998-B1 ANTAGONIZE SEROTONIN 2 RECEPTORS, SUPPRESS PLATELET AGGREGATION, IMPROVE PERIPHERAL CIRCULATION AND PROMOTE LACHRYMATION MITSUBISHI PHARMA CORPORATION (JP) 2002-10-22 US disclosed
EP-1125922-A1 PYRROLIDINE COMPOUNDS AND MEDICINAL UTILIZATION THEREOF Welfide Corporation (JP) 2001-08-22 EP disclosed
EP-0513974-B1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO INC (US) 1996-09-04 EP disclosed
US-5310737-A Benzo-fused lactams that promote the release of growth hormone MERCK & CO., INC. (US) 1994-05-10 US disclosed
US-5206235-A Animal growth regulators; stimulants MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0513974-A1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO. INC. (US) 1992-11-19 EP disclosed
WO-1992016524-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1992-10-01 WO disclosed