SCHEMBL7410264

SCHEMBL7410264

CC(C)(C)OC(=O)NC(=N)c1ccc(-c2cc(CC(=O)O)on2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.44
▸ PPARD Q03181 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 2/20 0.38
▸ NR1H4 Q96RI1 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ P2RY14 Q15391 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9043548 0.81 ALDH1A1 (0.38) PKMPPARDSMN1; SMN2CYP1A2ALDH1A1
SCHEMBL7449716 0.79 PKM (0.37) PKMSMN1; SMN2LMNAPOLBNR1H4
SCHEMBL9044656 0.79 ITGB3 (0.50) —
SCHEMBL9052655 0.79 PKM (0.34) PKMSMN1; SMN2CYP1A2LMNAPOLB
SCHEMBL7454250 0.77 PKM (0.33) PKMSMN1; SMN2NR1H4HDAC1HDAC6
SCHEMBL7450094 0.77 PKM (0.36) PKMSMN1; SMN2CYP1A2LMNAPOLB
SCHEMBL7305490 0.76 NR1H4 (0.45) PPARDNR1H4HDAC1
SCHEMBL27729720 0.72 MEN1 (0.53) PPARDSMN1; SMN2CYP1A2LMNAPOLB
SCHEMBL27994504 0.72 SMN1; SMN2 (0.50) SMN1; SMN2NR1H4ALDH1A1MAPT
SCHEMBL617014 0.72 MAPT (0.52) PPARDSMN1; SMN2NR1H4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730590-B1 ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-01-17 — — EP disclosed
US-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 — — US disclosed
EP-0970950-A2 Novel isoxazoline and isoxazole fibrinogen receptor antagonists DuPont Pharmaceuticals Company (US) 2000-01-12 — — EP disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 — — US disclosed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 — — EP disclosed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 — — WO disclosed
Send feedback