SCHEMBL10816623

SCHEMBL10816623

CCOC(=O)C(C)(C)CCC(=O)Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.55
CYP4A11 Q02928 3/20 0.55
TSHR P16473 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 3/20 0.38
THRB P10828 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 1/20 0.38
PPARA Q07869 1/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 4/20 0.37
TP53 P04637 1/20 0.37
MMP8 P22894 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2021436 0.83 CYP4F2 (0.67) CYP4F2CYP4A11TSHRMEN1KMT2A
SCHEMBL759138 0.82 CYP4F2 (0.56) CYP4F2CYP4A11TSHRMEN1KMT2A
SCHEMBL4577570 0.82 CYP4F2 (0.56) CYP4F2CYP4A11TSHRMEN1KMT2A
SCHEMBL10810524 0.81 CYP4F2 (0.38) CYP4F2CYP4A11TSHRKMT2AMMP8
SCHEMBL8888149 0.81 CYP4F2 (0.50) CYP4F2CYP4A11TSHRMEN1KMT2A
SCHEMBL10816658 0.81 CYP4F2 (0.40) CYP4F2CYP4A11TSHRALDH1A1TP53
SCHEMBL6461960 0.79 CYP4F2 (0.58) CYP4F2CYP4A11TSHRMEN1KMT2A
SCHEMBL5911701 0.79 TSHR (0.37) CYP4F2CYP4A11TSHRALDH1A1TP53
SCHEMBL5306680 0.79 CYP4F2 (0.62) CYP4F2CYP4A11TSHRMEN1KMT2A
SCHEMBL15627989 0.78 CYP4F2 (0.53) CYP4F2CYP4A11TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0105919-B1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1987-07-08 EP disclosed
US-4479963-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1984-10-30 US disclosed
EP-0105919-A1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES. CIBA GEIGY AG (CH) 1984-04-25 EP disclosed
WO-1983003828-A1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1983-11-10 WO disclosed
US-4374847-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-02-22 US disclosed