SCHEMBL3923931

SCHEMBL3923931

CCOC(=O)C(NC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.59
ALDH1A1 P00352 4/20 0.56
CYP1A2 P05177 3/20 0.56
CYP3A4 P08684 3/20 0.56
TSHR P16473 3/20 0.56
MMP8 P22894 1/20 0.51
NPC1 O15118 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 3/20 0.49
GAA P10253 2/20 0.49
TAAR1 Q96RJ0 1/20 0.48
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
PRSS1 P07477 1/20 0.47
CTSG P08311 1/20 0.47
CTRB1 P17538 1/20 0.47

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
SCHEMBL16245369 0.91 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL8610160 0.87 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL25366914 0.85 TACR3 (0.59) ALDH1A1CYP1A2CYP3A4TSHRMEN1
SCHEMBL11841853 0.84 SMN1; SMN2 (0.62) SMN1; SMN2MMP8NPC1MEN1KMT2A
SCHEMBL24661545 0.84 SMN1; SMN2 (0.62) SMN1; SMN2MMP8NPC1MEN1KMT2A
SCHEMBL28510565 0.83 SMN1; SMN2 (0.61) SMN1; SMN2TSHRMMP8NPC1MEN1
SCHEMBL5784044 0.82 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1MMP8NPC1MEN1
SCHEMBL887412 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL10143994 0.81 RAB9A (0.54) SMN1; SMN2ALDH1A1NPC1MEN1KMT2A
SCHEMBL12849869 0.81 RAB9A (0.54) SMN1; SMN2ALDH1A1NPC1MEN1KMT2A

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 12 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
JP-2002512960-A 2002-05-08 JP claimed
EP-1073434-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-07 EP claimed
WO-1999055330-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 WO claimed
CN-100562748-C Method for predicting skin spot formation using spot-site-enhancing gene group as indicator, and method for screening inhibitor of skin spot formation SHISEIDO CO LTD (JP) 2009-11-25 CN disclosed
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
CN-1856709-A 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) 2006-11-01 CN 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
EP-1073434-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-07 EP disclosed
WO-1999055330-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 WO disclosed