SCHEMBL9716707

SCHEMBL9716707

CC(C)C(=O)N(CC(=O)O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.61
LTB4R2 Q9NPC1 1/20 0.50
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GLA P06280 1/20 0.48

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
SCHEMBL14690329 0.86 MLYCD (0.48) MLYCDALDH1A1TSHRGLA
SCHEMBL6047685 0.86 MLYCD (0.48) MLYCDALDH1A1TSHRGLA
SCHEMBL11800781 0.86 MLYCD (0.48) MLYCDALDH1A1TSHRGLA
SCHEMBL11819600 0.86 MLYCD (0.48) MLYCD
SCHEMBL18765958 0.83 ALDH1A1 (0.66) MLYCDLTB4R2ALDH1A1TSHRKDM4E
SCHEMBL8165475 0.83
SCHEMBL28110901 0.83 MLYCD (0.46) MLYCDALDH1A1TSHRGLA
SCHEMBL5493790 0.82 MLYCD (0.45) MLYCDALDH1A1TSHRGLA
SCHEMBL3483440 0.81 LTB4R2 (0.50) MLYCDLTB4R2ALDH1A1TSHRKDM4E
SCHEMBL8074241 0.80 GPR88 (0.44) MLYCD

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
EP-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed