SCHEMBL11619136

SCHEMBL11619136

CCOCCOc1ccc(-c2cc(=O)c3cc(C(=O)O)ccc3o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.64
ABCB1 P08183 2/20 0.64
ABCC1 P33527 1/20 0.64
BCHE P06276 2/20 0.53
CNR2 P34972 2/20 0.53
SIGMAR1 Q99720 11/20 0.52
TNKS O95271 2/20 0.51

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
SCHEMBL10627793 0.88 ABCG2 (0.58) ABCG2ABCB1ABCC1SIGMAR1TNKS
SCHEMBL11561409 0.86 ABCG2 (0.49) ABCG2ABCB1ABCC1BCHECNR2
SCHEMBL11560525 0.82 MAPT (0.53) ABCG2ABCB1ABCC1SIGMAR1TNKS
SCHEMBL11563586 0.81 HPGD (0.50) ABCG2ABCB1ABCC1SIGMAR1TNKS
SCHEMBL6176196 0.81 L3MBTL1 (0.59) ABCG2ABCB1BCHESIGMAR1TNKS
SCHEMBL11518211 0.80 ABCG2 (0.49) ABCG2ABCB1ABCC1
SCHEMBL11520373 0.79 KDM4E (0.45) ABCG2ABCB1ABCC1SIGMAR1TNKS
SCHEMBL31238530 0.78 TNKS (0.66) ABCG2ABCB1SIGMAR1TNKS
SCHEMBL8934603 0.77 MAPT (0.78) ABCG2ABCB1BCHETNKS
SCHEMBL10626539 0.76 MAPT (0.73) ABCB1BCHETNKS

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-4083953-A ANTIALLERGENS CARLO ERBA, S.P.A. (IT) 1978-04-11 US claimed
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-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