SCHEMBL11560261

SCHEMBL11560261

CCCOc1ccccc1-c1cc(=O)c2cc(C(=O)O)ccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
AR P10275 1/20 0.51
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TNKS O95271 2/20 0.46
LTB4R Q15722 2/20 0.46
ABCB1 P08183 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL11561465 0.95 AR (0.53) ALDH1A1HPGDCYP3A4TSHRCYP2C19
SCHEMBL11563836 0.91 HPGD (0.56) ALDH1A1HPGDCYP3A4TSHRCYP2C19
SCHEMBL11563586 0.91 HPGD (0.50) ALDH1A1HPGDCYP3A4TSHRCYP2C19
SCHEMBL11559185 0.90 ALDH1A1 (0.51) ALDH1A1HPGDCYP3A4TSHRCYP2C19
SCHEMBL11557194 0.89 ALDH1A1 (0.50) ALDH1A1HPGDCYP3A4TSHRCYP2C19
SCHEMBL11561615 0.86 ALDH1A1 (0.52) ALDH1A1HPGDCYP3A4TSHRCYP2C19
SCHEMBL11558215 0.86 ALDH1A1 (0.52) ALDH1A1HPGDCYP3A4TSHRCYP2C19
SCHEMBL11559277 0.85 ALDH1A1 (0.49) ALDH1A1HPGDCYP3A4TSHRCYP2C19
SCHEMBL11561905 0.85 ALDH1A1 (0.49) ALDH1A1HPGDCYP3A4TSHRCYP2C19
SCHEMBL11562791 0.85 ALDH1A1 (0.72) ALDH1A1HPGDCYP3A4TSHRCYP2C19

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 6 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-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