SCHEMBL8542736

SCHEMBL8542736

CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1NCCC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 10/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
XBP1 P17861 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 2/20 0.39
CETP P11597 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL8540263 0.91 TP53 (0.42) ALOX15ALDH1A1HPGDCYP1A2XBP1
SCHEMBL8543504 0.91 ALOX15 (0.47) ALOX15ALDH1A1HPGDCYP1A2XBP1
SCHEMBL8545607 0.90 ALOX15 (0.47) ALOX15ALDH1A1HPGDCYP1A2XBP1
SCHEMBL8545149 0.89 ALDH1A1 (0.49) ALOX15ALDH1A1HPGDCYP1A2XBP1
SCHEMBL8540699 0.85 HPGD (0.43) ALOX15ALDH1A1HPGDCYP1A2XBP1
SCHEMBL8539658 0.83 ALDH1A1 (0.48) ALOX15ALDH1A1HPGDCYP1A2XBP1
SCHEMBL8540198 0.82 MAPT (0.51) ALOX15ALDH1A1HPGDCYP1A2XBP1
SCHEMBL8540435 0.81 TP53 (0.48) ALOX15ALDH1A1HPGDCYP1A2XBP1
SCHEMBL8538934 0.81 ALOX15 (0.48) ALOX15ALDH1A1HPGDCYP1A2XBP1
SCHEMBL8542731 0.80 ALOX15 (0.41) ALOX15ALDH1A1HPGDCYP1A2XBP1

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-5189054-A 3-amidoindolyl derivatives and pharmaceutical compositions thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1993-02-23 US claimed
EP-0483881-B1 3-Amidoindolyl derivatives MERRELL PHARMA INC (US) 1998-01-21 EP disclosed
US-5703107-A CENTRAL NERVOUS SYSTEM DISORDERS; ANALGESICS; ANTIEPILEPTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-12-30 US disclosed
US-5675018-A 3-amidoindolyl derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-10-07 US disclosed
US-5491153-A 3-amidoindolyl derivative MERRELL DOW PHARMACEUTICALS INC. (US) 1996-02-13 US disclosed
US-5189054-A 3-amidoindolyl derivatives and pharmaceutical compositions thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1993-02-23 US disclosed
EP-0483881-A1 3-Amidoindolyl derivatives MERRELL PHARMACEUTICALS INC. (US) 1992-05-06 EP disclosed