SCHEMBL13689451

SCHEMBL13689451

CC(=O)NC(CC(=O)Nc1ccc(Cl)c(C(C)=O)c1)Cc1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ MME P08473 1/20 0.41
▸ NLRP3 Q96P20 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MMEL1 Q495T6 1/20 0.39
▸ ITGB1 P05556 3/20 0.38
▸ ITGA4 P13612 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ PCNA P12004 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ BRD4 O60885 1/20 0.38

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
SCHEMBL13689444 0.90 MEN1 (0.54) KMT2AMEN1MMEITGB1ITGA4
SCHEMBL13602312 0.82 ITGB1 (0.47) KMT2AMEN1ITGB1ITGA4SMN1; SMN2
SCHEMBL8278658 0.80 NLRP3 (0.56) KMT2AMEN1NLRP3SMN1; SMN2ALDH1A1
SCHEMBL13602340 0.73 ITGB1 (0.48) ITGB1ITGA4SMN1; SMN2MAPTTACR1
SCHEMBL13602308 0.72 SMN1; SMN2 (0.59) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL13602310 0.72 FPR2 (0.54) KMT2AMEN1TSHRITGB1ITGA4
SCHEMBL13602309 0.69 KMT2A (0.64) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL11989410 0.68 PCNA (0.61) KDM4ECYP3A4MAPK1PCNALMNA
SCHEMBL13690013 0.67 ITGB1 (0.46) ITGB1ITGA4SMN1; SMN2MAPTTACR1
SCHEMBL25596407 0.67 ESR1 (0.47) KDM4EPCNA

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-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 — — US disclosed
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