SCHEMBL3935810

SCHEMBL3935810

CCC(Cc1ccc(N)cc1)(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
POLB P06746 1/20 0.43
EPHX2 P34913 1/20 0.42
ESRRG P62508 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC1 Q13547 2/20 0.39
PRMT1 Q99873 1/20 0.39
HIF1A Q16665 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
PTPN1 P18031 1/20 0.39
GAA P10253 2/20 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
SCHEMBL3935814 1.00 MEN1 (0.44) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL3927037 0.91 POLB (0.47) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL3927036 0.91 POLB (0.47) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL3927053 0.89 BLM (0.44) KMT2ANPC1RAB9APOLBESRRG
SCHEMBL3927057 0.89 BLM (0.44) KMT2ANPC1RAB9APOLBESRRG
SCHEMBL3938137 0.85 GAA (0.55) LMNAKMT2ANPC1RAB9AMAPT
SCHEMBL3938131 0.85 GAA (0.55) LMNAKMT2ANPC1RAB9AMAPT
SCHEMBL22987140 0.85 KDM4E (0.49) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL3927124 0.84 RAB9A (0.44) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL3927119 0.84 RAB9A (0.44) MEN1LMNAKMT2ANPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420424-B1 ADMINISTERING PHENYLALANINE AMIDE DERIVATIVES (SUCH AS S-ETHYL-2-AMINO-3-(4-CHLOROPHENYL)PROPIONATE HYDROCHLORIDE) TO TREAT ALLERGIC DISORDERS, INCLUDING ASTHMA, RHINITIS, DERMATITUS, AND PRURITIS SMITHKLINE BEECHAM CORPORATION 2002-07-16 US claimed
EP-1691199-B1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO CO LTD (JP) 2009-04-01 EP disclosed
US-20070249915-A1 Inhibitors SHISEIDO COMPANY, LTD. (JP) 2007-10-25 US disclosed
EP-1691199-A1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO COMPANY LIMITED (JP) 2006-08-16 EP disclosed
US-6420424-B1 ADMINISTERING PHENYLALANINE AMIDE DERIVATIVES (SUCH AS S-ETHYL-2-AMINO-3-(4-CHLOROPHENYL)PROPIONATE HYDROCHLORIDE) TO TREAT ALLERGIC DISORDERS, INCLUDING ASTHMA, RHINITIS, DERMATITUS, AND PRURITIS SMITHKLINE BEECHAM CORPORATION 2002-07-16 US disclosed