SCHEMBL7547847

SCHEMBL7547847

C=C1C[C@@H](C(=O)OCc2ccccc2)N(C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 10/20 0.46
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42
HPGD P15428 1/20 0.41
ALDH1A1 P00352 2/20 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
SCHEMBL16531718 0.88 FKBP1A (0.48) FKBP1AFABP7FABP5
SCHEMBL12480674 0.85 FKBP1A (0.47) FKBP1A
SCHEMBL994630 0.85 FKBP1A (0.50) FKBP1AFABP7FABP5HPGD
SCHEMBL202452 0.82 NPSR1 (0.48) FKBP1AALDH1A1
SCHEMBL202453 0.82 NPSR1 (0.48) FKBP1AALDH1A1
SCHEMBL30194279 0.82 PREP (0.50) FKBP1A
SCHEMBL5765666 0.81 SMN1; SMN2 (0.49)
SCHEMBL5765672 0.81 SMN1; SMN2 (0.49)
SCHEMBL28431477 0.77 FKBP1A (0.60) FKBP1A
SCHEMBL18084467 0.77 KLK7 (0.48) FKBP1A

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
CN-116437913-A Pharmaceutical compounds for treating complement-mediated disorders 艾其林医药公司 2023-07-14 CN disclosed
EP-0918768-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C Research Laboratories (KR) 1999-06-02 EP disclosed
WO-1997045424-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RESEARCH LABORATORIES (KR) 1997-12-04 WO disclosed