SCHEMBL7839491

SCHEMBL7839491

CC(C(=O)S)C(NC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.61
HPGD P15428 2/20 0.61
HDAC1 Q13547 1/20 0.59
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
NPC1 O15118 1/20 0.49
CTRB1 P17538 1/20 0.47
GPR139 Q6DWJ6 1/20 0.47
RAB9A P51151 1/20 0.45
HPGDS O60760 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 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
SCHEMBL14730658 0.87 LMNA (0.65) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL16312541 0.85 LMNA (0.63) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL18471342 0.85 LMNA (0.63) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL7839495 0.84 LMNA (0.61) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL7747812 0.82 LMNA (0.63) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL12104795 0.81 LMNA (0.67) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL2786631 0.79 LMNA (0.63) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL887421 0.77 LMNA (0.65) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL14587958 0.76 LMNA (0.59) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2
SCHEMBL1101522 0.75 ALDH1A1 (0.77) LMNAHPGDHDAC1ALDH1A1SMN1; SMN2

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-0776322-B1 METHOD FOR THE PREPARATION OF TAXOL AND ITS DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-11-07 EP disclosed
US-5767282-A Method for the preparation of taxol and its derivatives PHARMACIA & UPJOHN S.P.A. (IT) 1998-06-16 US disclosed
EP-0776322-A1 METHOD FOR THE PREPARATION OF TAXOL AND ITS DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1997-06-04 EP disclosed
WO-1997000870-A1 METHOD FOR THE PREPARATION OF TAXOL AND ITS DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-01-09 WO disclosed