SCHEMBL8073566

SCHEMBL8073566

CCOC(=O)c1c(C(=O)c2cc(C)cc(C)c2NC(=O)OCc2ccccc2)nnn1Cc1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.44
MAPT P10636 2/20 0.43
CYP19A1 P11511 4/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
AKR1C3 P42330 6/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL8057396 0.94 CYP19A1 (0.45) CASP3MAPTCYP19A1CYP1A2CYP3A4
SCHEMBL7824961 0.87 CYP19A1 (0.46) MAPTCYP19A1CYP1A2AKR1C3LMNA
SCHEMBL7824962 0.84 AKR1C3 (0.51) MAPTCYP19A1AKR1C3LMNAMEN1
SCHEMBL8071414 0.83 MAPT (0.42) CASP3MAPTCYP19A1CYP1A2CYP3A4
SCHEMBL8073356 0.82 AKR1C3 (0.47) MAPTCYP19A1AKR1C3LMNAMEN1
SCHEMBL8058108 0.82 CYP19A1 (0.43) CASP3MAPTCYP19A1CYP1A2CYP3A4
SCHEMBL8068106 0.81 POLB (0.46) MAPTCYP19A1LMNASMN1; SMN2MEN1
SCHEMBL7828177 0.79 AKR1C3 (0.47) MAPTCYP1A2AKR1C3SMN1; SMN2MEN1
SCHEMBL7829087 0.76 POLB (0.48) MAPTCYP19A1CYP1A2AKR1C3SMN1; SMN2
SCHEMBL7828179 0.76 AKR1C3 (0.53) HTTAKR1C3MEN1KMT2A

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