SCHEMBL11567962

SCHEMBL11567962

O=C(O)c1ccc(C(=O)O)c(SCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRG P23470 2/20 0.51
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 3/20 0.50
CYP2C9 P11712 2/20 0.50
POLB P06746 2/20 0.50
CYP1A2 P05177 2/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.50
AR P10275 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
PTPRC P08575 3/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.45

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
SCHEMBL11565647 0.87 AR (0.64) PTPRGKMT2APOLBSMN1; SMN2AR
SCHEMBL11719632 0.86 L3MBTL1 (0.52) ALDH1A1KMT2AHPGDCYP2C9POLB
SCHEMBL20644280 0.83 FFAR1 (0.57) PTPRGKMT2ACYP2C9POLBCYP1A2
SCHEMBL30016005 0.83 PTPRC (0.68) PTPRGALDH1A1KMT2AHPGDCYP2C9
SCHEMBL26145057 0.83 MRGPRX4 (0.51) PTPRGALDH1A1KMT2AHPGDCYP2C9
SCHEMBL11568611 0.82 CYP1A2 (0.53) HPGDCYP1A2SMN1; SMN2ARMRGPRX4
SCHEMBL11563850 0.81 KMT2A (0.48) PTPRGALDH1A1KMT2AHPGDCYP2C9
SCHEMBL1901284 0.81 PTPRG (0.67) PTPRGALDH1A1KMT2ACYP2C9POLB
SCHEMBL11709880 0.80 PTPRG (0.48) PTPRGALDH1A1KMT2AHPGDCYP2C9
SCHEMBL28023390 0.80 KMT2A (0.46) PTPRGALDH1A1KMT2AHPGDCYP2C9

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-0003422-A1 Novel 4-(8X-6,11-dihydrodibenzo-(b,e)-thiepin-11-one-3-yl)-4-oxobutyric acids, methods of preparation, compositions and uses thereof SYNTEX (U.S.A.) INC. (US) 1979-08-08 EP disclosed
US-4130654-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, FRIBRINOLYTIC, MUSCLE RELAXANT SYNTEX (U.S.A.) INC. (US) 1978-12-19 US disclosed
US-4000288-A ANALGESICS, ANTIINFLAMMATORY AGENTS, PYREXIA SYNTEX (U.S.A.) INC. (US) 1976-12-28 US disclosed
US-4000308-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYREXIA SYNTEX (U.S.A.) INC. (US) 1976-12-28 US disclosed