Sugi Predict

Sugi Predict / Compounds / SCHEMBL11255951

SCHEMBL11255951

SCHEMBL11255951

COC(=O)C(O)N1C(=O)[C@@H](NC(=O)COc2ccccc2)[C@H]1SC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TP53 P04637 1/20 0.40

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
SCHEMBL11257544 0.90 ALDH1A1 (0.39) ALDH1A1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL11257536 0.90 ALDH1A1 (0.39) ALDH1A1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL11253339 0.89 ALDH1A1 (0.38) ALDH1A1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL11253330 0.89 ALDH1A1 (0.38) ALDH1A1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL11260091 0.89 ALDH1A1 (0.42) ALDH1A1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL11265433 0.89 CASP1 (0.41) ALDH1A1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL11265437 0.89 CASP1 (0.41) ALDH1A1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL11265428 0.89 CASP1 (0.41) ALDH1A1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL11265005 0.88 PTPN1 (0.42) ALDH1A1
SCHEMBL11264996 0.88 PTPN1 (0.42) ALDH1A1

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-4364865-A ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1982-12-21 — — US disclosed
US-4070477-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1978-01-24 — — US disclosed