SCHEMBL8057396

SCHEMBL8057396

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(=O)c1cc(C)cc(C)c1NC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.45
CASP3 P42574 1/20 0.44
MAPT P10636 3/20 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 5/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL8073566 0.94 CASP3 (0.44) CYP19A1CASP3MAPTCYP1A2CYP3A4
SCHEMBL8058108 0.83 CYP19A1 (0.43) CYP19A1CASP3MAPTCYP1A2CYP3A4
SCHEMBL8071414 0.82 MAPT (0.42) CYP19A1CASP3MAPTCYP1A2CYP3A4
SCHEMBL8067017 0.81 SMN1; SMN2 (0.48) CYP19A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL7824961 0.81 CYP19A1 (0.46) CYP19A1MAPTCYP1A2AKR1C3LMNA
SCHEMBL7824962 0.79 AKR1C3 (0.51) CYP19A1MAPTAKR1C3LMNAMEN1
SCHEMBL8073356 0.76 AKR1C3 (0.47) CYP19A1MAPTAKR1C3LMNAMEN1
SCHEMBL7828177 0.75 AKR1C3 (0.47) MAPTCYP1A2AKR1C3POLBSMN1; SMN2
SCHEMBL7831300 0.75 SMN1; SMN2 (0.48) CYP19A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL22608343 0.75 CYP19A1 (0.56) CYP19A1MAPTAKR1C3LMNAPOLB

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