SCHEMBL7328904

SCHEMBL7328904

CCOC(=O)C(CSc1ccccn1)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ POLB P06746 2/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ MMP8 P22894 1/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CYP1A2 P05177 1/20 0.41

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
SCHEMBL7326818 0.84 CYP1A2 (0.56) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL7324339 0.81 PPARG (0.54) SMN1; SMN2EPHX2PPARGALDH1A1MMP8
SCHEMBL10521821 0.79 MMP8 (0.61) LMNASMN1; SMN2EPHX2PPARGALDH1A1
SCHEMBL7141032 0.77 CYP1A2 (0.58) SMN1; SMN2EPHX2PPARGALDH1A1MMP8
SCHEMBL7369170 0.76 EPHX2 (0.49) EPHX2PPARGMMP8PKMMAPT
SCHEMBL1127424 0.76 MEN1 (0.57) LMNASMN1; SMN2EPHX2PPARGALDH1A1
SCHEMBL7334986 0.76 PPARG (0.50) SMN1; SMN2EPHX2PPARGALDH1A1MMP8
SCHEMBL3504311 0.76 EPHX2 (0.70) EPHX2PPARGMMP8KMT2AMEN1
SCHEMBL15479082 0.76 PPARG (0.58) EPHX2PPARGALDH1A1MMP8KMT2A
SCHEMBL7333448 0.75 PKM (0.45) LMNASMN1; SMN2EPHX2PPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4914129-A Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups CIBA-GEIGY CORPORATION (US) 1990-04-03 — — US disclosed
US-4889869-A ANTIALDOSTERONISM AGENTS CIBA-GEIGY CORPORATION (US) 1989-12-26 — — US disclosed
US-4758584-A Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups CIBA-GEIGY CORPORATION (US) 1988-07-19 — — US disclosed
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