SCHEMBL11563071

SCHEMBL11563071

C=CCc1cc(C(=O)O)cc2c(=O)cc(-c3ccccc3OCC(C)O)oc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP1A2 P05177 3/20 0.38
▸ CYP1A1 P04798 2/20 0.38
▸ CYP1B1 Q16678 2/20 0.38
▸ ADRB2 P07550 3/20 0.36
▸ ADRB1 P08588 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ BDKRB2 P30411 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ ADRA1A P35348 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
SCHEMBL11564404 0.87 HPGD (0.40) ALDH1A1HPGDKDM4ECYP3A4MAPT
SCHEMBL11566014 0.81 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ECYP3A4MAPT
SCHEMBL11567572 0.79 MEN1 (0.45) ALDH1A1HPGDKDM4ECYP3A4MAPT
SCHEMBL11559463 0.75 CYP1A2 (0.47) ALDH1A1KDM4ECYP3A4MAPTCYP1A2
SCHEMBL11563055 0.75 CYP3A4 (0.42) ALDH1A1HPGDKDM4ECYP3A4MAPT
SCHEMBL11558215 0.74 ALDH1A1 (0.52) ALDH1A1HPGDKDM4ECYP3A4MAPT
SCHEMBL11564785 0.74 ALDH1A1 (0.49) ALDH1A1HPGDKDM4ECYP3A4MAPT
SCHEMBL11567606 0.72 MEN1 (0.46) ALDH1A1HPGDKDM4ECYP3A4MAPT
SCHEMBL11559277 0.72 ALDH1A1 (0.49) ALDH1A1HPGDKDM4ECYP3A4MAPT
SCHEMBL11562177 0.71 ALDH1A1 (0.47) ALDH1A1HPGDKDM4ECYP3A4MAPT

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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