SCHEMBL11564404

SCHEMBL11564404

CCCc1cc(C(=O)O)cc2c(=O)cc(-c3ccccc3OCC(C)O)oc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP1A1 P04798 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP1B1 Q16678 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYSLTR2 Q9NS75 2/20 0.38
▸ CYSLTR1 Q9Y271 2/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ TBXAS1 P24557 1/20 0.38
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL11563055 0.88 CYP3A4 (0.42) HPGDMAPTALDH1A1CYP3A4KDM4E
SCHEMBL11563071 0.87 ALDH1A1 (0.39) HPGDMAPTALDH1A1CYP3A4KDM4E
SCHEMBL11566014 0.81 ALDH1A1 (0.51) HPGDMAPTALDH1A1CYP3A4KDM4E
SCHEMBL11567572 0.79 MEN1 (0.45) HPGDMAPTALDH1A1CYP3A4KDM4E
SCHEMBL11558701 0.75 CYP1A1 (0.48) HPGDKDM4EHSD17B10CYP1A1CYP1A2
SCHEMBL11558215 0.73 ALDH1A1 (0.52) HPGDMAPTALDH1A1CYP3A4KDM4E
SCHEMBL11559277 0.73 ALDH1A1 (0.49) HPGDMAPTALDH1A1CYP3A4KDM4E
SCHEMBL11564785 0.73 ALDH1A1 (0.49) HPGDMAPTALDH1A1CYP3A4KDM4E
SCHEMBL11567606 0.71 MEN1 (0.46) HPGDMAPTALDH1A1CYP3A4KDM4E
SCHEMBL11561409 0.71 ABCG2 (0.49) —

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-4065467-A ANTIALLERGENS, ANTIULCER AGENTS, TREATMENT OF RESPIRATORY SYSTEM AND PULMONARY DISORDERS CARLO ERBA, S. P. A. (IT) 1977-12-27 — — 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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