SCHEMBL9864987

SCHEMBL9864987

COc1ccc(CCCC(CC[O])C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.51
ALOX5 P09917 2/20 0.49
CALM1 P0DP23 1/20 0.49
F2RL1 P55085 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45

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
SCHEMBL10643738 0.91 LDHA (0.54) LDHAALOX5CALM1F2RL1ALDH1A1
SCHEMBL1856418 0.87 ALDH1A1 (0.56) LDHAALOX5ALDH1A1KMT2AMMP2
SCHEMBL9864938 0.87 LDHA (0.50) LDHAALOX5CALM1F2RL1ALDH1A1
SCHEMBL156654 0.85 LDHA (0.51) LDHAALOX5CALM1F2RL1ALDH1A1
SCHEMBL3467371 0.83 MMP3 (0.58) ALOX5ALDH1A1KMT2AMMP2MMP3
SCHEMBL1861101 0.83 ALDH1A1 (0.53) ALOX5ALDH1A1KMT2AMMP2MMP3
SCHEMBL7999764 0.81 LDHA (0.50) LDHAALOX5CALM1F2RL1ALDH1A1
SCHEMBL18065709 0.80 ALDH1A1 (0.62) LDHAALOX5ALDH1A1KMT2APPARG
SCHEMBL1237034 0.80 LDHA (0.56) LDHAALOX5CALM1F2RL1ALDH1A1
SCHEMBL1238082 0.80 LDHA (0.56) LDHAALOX5CALM1F2RL1ALDH1A1

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
US-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed