SCHEMBL8829187

SCHEMBL8829187

NCC(=O)N1[C@@H](c2ccccc2-c2ccccc2)SC[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.55
▸ FFAR2 O15552 14/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ LMNA P02545 1/20 0.46

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
SCHEMBL8860652 0.86 ACE (0.56) ACEFFAR2ALDH1A1POLBHPGD
SCHEMBL8870553 0.86 ACE (0.56) ACEFFAR2ALDH1A1POLBHPGD
SCHEMBL11282508 0.85 ACE (0.74) ACEFFAR2ALDH1A1POLBHPGD
SCHEMBL10920568 0.85 ACE (0.74) ACEFFAR2ALDH1A1POLBHPGD
SCHEMBL10920564 0.85 ACE (0.74) ACEFFAR2ALDH1A1POLBHPGD
SCHEMBL8870611 0.82 ACE (0.57) ACEFFAR2ALDH1A1POLBHPGD
SCHEMBL8871782 0.82 ACE (0.51) ACEFFAR2ALDH1A1POLBHPGD
SCHEMBL8870565 0.82 HSD17B10 (0.57) ACEFFAR2ALDH1A1POLBHPGD
SCHEMBL8871013 0.82 HSD17B10 (0.57) ACEFFAR2ALDH1A1POLBHPGD
SCHEMBL8829085 0.78 ACE (0.45) ACEFFAR2ALDH1A1POLBHPGD

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
US-5633270-A Thiazolidine derivatives, preparation thereof and drugs containing samem RHONE-POULENC RORER S.A. (FR) 1997-05-27 — — US disclosed
Send feedback