SCHEMBL27291563

SCHEMBL27291563

C=C(Cc1nc(-c2ncc(OCCCC)cc2Cl)no1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 6/20 0.41
▸ ACACB O00763 1/20 0.36
▸ ACACA Q13085 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ MITF O75030 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ FFAR1 O14842 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
SCHEMBL27291560 0.88 GSTP1 (0.37) GSTP1ACACBACACACNR1CNR2
SCHEMBL27291464 0.83 NPC1 (0.41) ACACBACACAMITFTP53NCOA3
SCHEMBL27291640 0.82 GSTP1 (0.47) GSTP1CNR1CNR2FFAR1
SCHEMBL23578433 0.81 ACACB (0.57) ACACBACACAMITFTP53NCOA3
SCHEMBL29844146 0.79 TDP1 (0.50) GSTP1FFAR1
SCHEMBL23588172 0.79 TDP1 (0.50) GSTP1FFAR1
SCHEMBL30689442 0.78 GSTP1 (0.41) GSTP1CNR1CNR2FFAR1
SCHEMBL30689377 0.76 GSTP1 (0.38) GSTP1CNR1CNR2TP53FFAR1
SCHEMBL23578438 0.76 ACACB (0.64) GSTP1ACACBACACAMITFTP53
SCHEMBL23578421 0.75 MITF (0.41) GSTP1MITFTP53NCOA3FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024127030-A1 SUBSTITUTED PYRIDINES FOR USE IN TREATING OR PREVENTING INFLAMMATORY DISEASES OR DISEASES ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE SITRYX THERAPEUTICS LIMITED (GB) 2024-06-20 — — WO disclosed
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