SCHEMBL9864483

SCHEMBL9864483

CCC(=O)[N]CCc1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
GLA P06280 1/20 0.49
KMT2A Q03164 1/20 0.49
ALOX5 P09917 1/20 0.47
CALM1 P0DP23 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 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
SCHEMBL14492497 0.76 TAAR1 (0.55) F2RL1SMN1; SMN2CALM1TAAR1ALDH1A1
SCHEMBL13063103 0.76 TAAR1 (0.55) F2RL1SMN1; SMN2CALM1TAAR1ALDH1A1
SCHEMBL3994134 0.75 F2RL1 (0.77) F2RL1SMN1; SMN2ALOX5ALDH1A1POLB
SCHEMBL28051149 0.74 F2RL1 (0.74) F2RL1SMN1; SMN2ALOX5ALDH1A1POLB
SCHEMBL10370539 0.74 TAAR1 (0.57) F2RL1CALM1TAAR1ALDH1A1
SCHEMBL3943573 0.73 NR1I2 (0.47) F2RL1KMT2A
SCHEMBL29326625 0.72 ALOX5 (0.64) F2RL1ALOX5CALM1ALDH1A1POLB
SCHEMBL27590309 0.72 SMN1; SMN2 (0.59) F2RL1SMN1; SMN2GLAKMT2AALOX5
SCHEMBL834551 0.72 TAAR1 (0.73) F2RL1CALM1TAAR1
SCHEMBL7329940 0.72 F2RL1 (0.85) F2RL1SMN1; SMN2ALOX5CALM1TAAR1

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