SCHEMBL7778540

SCHEMBL7778540

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
TSHR P16473 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 2/20 0.56
BLM P54132 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
POLB P06746 1/20 0.56
PARP1 P09874 1/20 0.56
RECQL P46063 1/20 0.56
PMP22 Q01453 1/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CES1 P23141 3/20 0.48
CES2 O00748 2/20 0.48
ALDH1A1 P00352 2/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
PTGS1 P23219 1/20 0.46
GAA P10253 2/20 0.45
CA2 P00918 3/20 0.44

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
SCHEMBL9405148 0.85 TDP1 (0.56) MAPTTSHRCYP2C19CYP3A4BLM
SCHEMBL114583 0.84 CES1 (0.58) MAPTTSHRCYP2C19CYP3A4BLM
SCHEMBL183462 0.84 CES1 (0.58) MAPTTSHRCYP2C19CYP3A4BLM
SCHEMBL523842 0.84 CES1 (0.58) MAPTTSHRCYP2C19CYP3A4BLM
SCHEMBL8397878 0.81 CYP2C19 (0.52) MAPTTSHRCYP2C19CYP3A4BLM
SCHEMBL8398051 0.81 CYP2C19 (0.52) MAPTTSHRCYP2C19CYP3A4BLM
SCHEMBL28198887 0.81 TSHR (0.52) MAPTTSHRCYP2C19CYP3A4BLM
SCHEMBL433480 0.80 MAPT (0.56) MAPTTSHRCYP2C19CYP3A4BLM
SCHEMBL7567511 0.79 TDP1 (0.62) MAPTTSHRCYP2C19CYP3A4BLM
SCHEMBL10497226 0.79 TDP1 (0.62) MAPTTSHRCYP2C19CYP3A4BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0902820-B1 CHIRAL cLCPS CONTAINING COLOURED MONOMERS CLARIANT GMBH (DE) 2001-09-19 EP claimed
US-5837160-A Chiral CLCPs containing colored monomers HOECHST AKTIENGESELLSCHAFT (DE) 1998-11-17 US claimed
US-5527824-A ADMINISTERING IN THE TREATMENT OF ASTHMA, PSORIASIS AND ALLERGIC CONDITIONS RIKER LABORATORIES, INC. (US) 1996-06-18 US disclosed
US-5498745-A ANTIALLERGEN INTERMEDIATES, INHIBITORS OF LEUKOTRIENES, LIPOXYGENASE INHIBITORS RIKER LABORATORIES, INC. (US) 1996-03-12 US disclosed
US-5495043-A ANTIALLERGENS RIKER LABORATORIES, INC. (US) 1996-02-27 US disclosed
US-5416113-A Bronchodilators RIKER LABORATORIES, INC. (US) 1995-05-16 US disclosed
US-5347036-A Antiallergens RIKER LABORATORIES, INC. (US) 1994-09-13 US disclosed
US-5237070-A Antiallergens, inhibiting bronchoconstriction RIKER LABORATORIES, INC. (US) 1993-08-17 US disclosed
EP-0212848-A2 Substituted-di-t-butylphenols RIKER LABORATORIES, INC. (US) 1987-03-04 EP disclosed