SCHEMBL7900104

SCHEMBL7900104

CCCC[C@H](NC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)C(=O)N1CCN(Cc2ccc(OCc3ccccc3)c(OC)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
NPC1 O15118 5/20 0.45
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4701020 0.84 P2RY12 (0.43)
SCHEMBL4698338 0.83 ALDH1A1 (0.47) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL7900328 0.83 ALDH1A1 (0.43) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL7901896 0.81 GAA (0.44) MEN1KMT2A
SCHEMBL4701810 0.81 ALDH1A1 (0.44) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL4702813 0.80 ALDH1A1 (0.45) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL7900498 0.76 CCR1 (0.46) SMN1; SMN2
SCHEMBL4698653 0.75 LMNA (0.47) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL7904100 0.75 ITGB3 (0.41) LMNA
SCHEMBL7892907 0.74 KMT2A (0.43) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2

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-6194448-B1 ANTIINFLAMMATORY AGENTS; ASTHMA; RHEUMATIC DISORDERS TEXAS BIOTECHNOLOGY CORPORATION 2001-02-27 US disclosed