SCHEMBL9531170

SCHEMBL9531170

CCCC(C(=O)O)c1cncn1Cc1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MAP3K14 Q99558 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTGER3 P43115 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ PAX8 Q06710 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
SCHEMBL9214006 0.79 GPBAR1 (0.40) GPBAR1LMNAMAP3K14GAANPC1
SCHEMBL7382228 0.79 ACE2 (0.43) GPBAR1GAANPC1RAB9AMEN1
SCHEMBL9213182 0.77 CYP19A1 (0.39) GPBAR1LMNAMAP3K14GAANPC1
SCHEMBL8954174 0.77 GPBAR1 (0.38) GPBAR1LMNAMAP3K14GAANPC1
Hydrochloric Acid SCHEMBL8971928 0.76 CYP19A1 (0.38) GPBAR1LMNAMAP3K14GAANPC1
SCHEMBL9092959 0.76 CYP11B1 (0.52) GPBAR1GAACYP11B1CYP11B2
SCHEMBL7383288 0.71 ACE2 (0.41) —
SCHEMBL20534707 0.69 MEN1 (0.48) GAAMEN1KMT2A
SCHEMBL5869963 0.68 ACE2 (0.68) GPBAR1GAAKMT2ACYP11B1CYP11B2
SCHEMBL1951714 0.68 CYP11B1 (0.69) LMNARAB9AMEN1KMT2ACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0541705-A4 SUBSTITUTED 1H-IMIDAZOL-5-YL)ALKANOIC ACIDS — 1993-11-10 — — EP disclosed
EP-0541705-A1 SUBSTITUTED 1H-IMIDAZOL-5-YL]ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-05-19 — — EP disclosed
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