SCHEMBL10340461

SCHEMBL10340461

CC(C)(NC(=O)CCN)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
RECQL P46063 1/20 0.50
MAPK1 P28482 1/20 0.49
F7 P08709 1/20 0.48
P2RX7 Q99572 1/20 0.48
SSTR4 P31391 1/20 0.45
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
ADAMTS4 O75173 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL1829561 0.86 ALOX5 (0.50) CYP1A2CYP3A4RECQLMAPK1F7
SCHEMBL30564476 0.81 KIF11 (0.50) CYP1A2CYP3A4RECQLMAPK1MAPT
SCHEMBL23343879 0.81 P2RX7 (0.50) CYP1A2CYP3A4RECQLMAPK1F7
SCHEMBL27920436 0.80 EPHX2 (0.55) P2RX7KMT2AHDAC1HDAC3HDAC2
SCHEMBL4345768 0.80 HPGD (0.51) CYP1A2CYP3A4RECQLMAPK1F7
Hydrochloric Acid SCHEMBL29058723 0.79 EPHX2 (0.54) P2RX7KMT2AHDAC1HDAC3HDAC2
SCHEMBL9360320 0.79 P2RX7 (0.55) CYP1A2CYP3A4RECQLMAPK1P2RX7
Hydrochloric Acid SCHEMBL9172429 0.78 MAPK1 (0.81) CYP1A2CYP3A4RECQLMAPK1MAPT
SCHEMBL10470727 0.78 ESRRG (0.54) MAPTKMT2AADAMTS4ADAMTS5HDAC1
SCHEMBL10890502 0.77 KMT2A (0.53) CYP1A2CYP3A4MAPK1F7P2RX7

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-4904680-A IMMUNOLOGY SANKYO COMPANY, LIMITED (JP) 1990-02-27 US disclosed
EP-0173441-B1 AMINO ACID DERIVATIVES HAVING ANTI-TUMOR ACTIVITY AND COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1990-01-24 EP disclosed
EP-0173441-A1 Amino acid derivatives having anti-tumor activity and compositions containing them SANKYO COMPANY LIMITED (JP) 1986-03-05 EP disclosed