SCHEMBL11558696

SCHEMBL11558696

CCCc1cc(C(=O)O)cc2c(=O)cc(-c3cccnc3)oc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 4/20 0.49
▸ CYP1B1 Q16678 4/20 0.49
▸ CYP1A2 P05177 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ PRKDC P78527 1/20 0.48
▸ KMO O15229 1/20 0.41
▸ CYP2D6 P10635 3/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ IP6K1 Q92551 1/20 0.39
▸ IP6K3 Q96PC2 1/20 0.39
▸ IP6K2 Q9UHH9 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ TNKS O95271 1/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP2E1 P05181 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37

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
SCHEMBL11559459 0.84 CYP1A1 (0.47) CYP1A1CYP1B1CYP1A2KDM4EKMT2A
SCHEMBL11558265 0.82 CYP1A1 (0.36) CYP1A1CYP1B1CYP1A2KDM4EKMT2A
SCHEMBL11558701 0.80 CYP1A1 (0.48) CYP1A1CYP1B1CYP1A2KDM4ERAB9A
SCHEMBL11565251 0.75 TNKS (0.55) CYP1A1CYP1B1CYP1A2KDM4EKMT2A
SCHEMBL11565093 0.73 TNKS (0.55) CYP1A1CYP1B1CYP1A2KDM4EKMT2A
SCHEMBL11563055 0.73 CYP3A4 (0.42) CYP1A1CYP1B1CYP1A2KDM4EKMT2A
SCHEMBL7371812 0.71 KDM4E (0.52) CYP1A1CYP1B1CYP1A2KDM4EKMT2A
SCHEMBL11564404 0.71 HPGD (0.40) CYP1A1CYP1B1CYP1A2KDM4EKMT2A
SCHEMBL910340 0.70 CYP1A1 (0.54) CYP1A1CYP1B1CYP1A2KDM4EKMT2A
SCHEMBL909679 0.70 CYP1A1 (0.59) CYP1A1CYP1B1CYP1A2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4148900-A ANTIALLERGIC CARLO ERBA S.P.A. (IT) 1979-04-10 — — US claimed
US-4148900-A ANTIALLERGIC CARLO ERBA S.P.A. (IT) 1979-04-10 — — US disclosed
US-4115567-A TREATMENT OF ALLERGIES CARLO ERBA S. P. A. (IT) 1978-09-19 — — US disclosed
US-4083953-A ANTIALLERGENS CARLO ERBA, S.P.A. (IT) 1978-04-11 — — US disclosed
US-4065467-A ANTIALLERGENS, ANTIULCER AGENTS, TREATMENT OF RESPIRATORY SYSTEM AND PULMONARY DISORDERS CARLO ERBA, S. P. A. (IT) 1977-12-27 — — US disclosed
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