SCHEMBL7733987

SCHEMBL7733987

Cc1ccc2nc(C(O)[C@H](N)CC(C)C)oc2c1C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.38
TP53 P04637 1/20 0.30

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
SCHEMBL7733577 0.76 AAK1 (0.45) AAK1TP53
SCHEMBL7722996 0.69 AAK1 (0.47) AAK1TP53
SCHEMBL7733548 0.65 AAK1 (0.46) AAK1
SCHEMBL15257484 0.64 ELANE (0.41) TP53
Hydrochloric Acid SCHEMBL6684592 0.61 GAA (0.47)
SCHEMBL8362696 0.59 ALDH1A1 (0.46) AAK1
SCHEMBL7730501 0.59 ALDH1A1 (0.46) AAK1
SCHEMBL5424291 0.59 NPC1 (0.41) TP53
SCHEMBL14597579 0.59 L3MBTL1 (0.47) TP53
SCHEMBL5422053 0.59 NPC1 (0.41) TP53

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
US-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed