SCHEMBL8057733

SCHEMBL8057733

O=Cc1ccc(C(F)(F)F)cc1NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.56
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TRPV1 Q8NER1 1/20 0.47
POLB P06746 2/20 0.45
ELANE P08246 2/20 0.45
MAPT P10636 1/20 0.45
MAOB P27338 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 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
SCHEMBL29957951 0.84 MGLL (0.53) MGLLNPC1RAB9APOLBMAPT
SCHEMBL29954658 0.83 NPC1 (0.60) MGLLNPC1RAB9ATRPV1POLB
SCHEMBL8071413 0.82 MGLL (0.57) MGLLNPC1RAB9ATRPV1POLB
SCHEMBL29952405 0.81 CASP3 (0.54) MGLLNPC1RAB9ATRPV1POLB
SCHEMBL29950689 0.81 NPC1 (0.64) MGLLNPC1RAB9APOLBMAPT
SCHEMBL12032927 0.80 CCNC (0.59) MGLLNPC1RAB9ATRPV1POLB
SCHEMBL29956667 0.80 TACR3 (0.59) MGLLNPC1RAB9APOLBMAPT
SCHEMBL27491709 0.79 MAOB (0.58) MGLLNPC1RAB9APOLBMAPT
SCHEMBL28573399 0.78 P2RX1 (0.56) NPC1RAB9AMAPTHDAC1HDAC2
SCHEMBL29952662 0.78 CASP3 (0.54) MGLLNPC1RAB9APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6093714-A AN ANTIALLERGENS FOR TREATMENT AND PREVENTION OF BRONCHIAL ASTHMA, ECZEMA, HIVES, ALLERGIC GASTROINTESTINAL TROUBLES, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS MEIJI SEIKA KAISHA, LTD. (JP) 2000-07-25 US disclosed
EP-0834512-A1 TRICYCLIC BENZAZEPINE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1998-04-08 EP disclosed