SCHEMBL10911331

SCHEMBL10911331

CCOC(=O)c1ccc2c(c1)C(OCCN(C)C)c1ccccc1CO2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.42
TBXAS1 P24557 1/20 0.42
RET P07949 1/20 0.41
PRF1 P14222 1/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL11003119 0.87 TBXA2R (0.44) TBXA2RTBXAS1RET
SCHEMBL11001965 0.82 TBXAS1 (0.46) TBXA2RTBXAS1GAAMAPTNPC1
SCHEMBL10911521 0.82 TBXA2R (0.60) TBXA2RTBXAS1
SCHEMBL10911329 0.82 TBXA2R (0.42) TBXA2RTBXAS1PRF1GAAMAPT
SCHEMBL9044716 0.81 RAB9A (0.44) TBXA2RTBXAS1PRF1GAAMAPT
SCHEMBL9046629 0.80 TBXA2R (0.43) TBXA2RTBXAS1PRF1GAAMAPT
SCHEMBL11001961 0.77 TBXAS1 (0.42) TBXA2RTBXAS1GAAMAPTKDM4E
SCHEMBL10926790 0.76 TBXA2R (0.42) TBXA2RTBXAS1PRF1MAPTNPC1
SCHEMBL11036609 0.76 HTR2A (0.41) RET
SCHEMBL10911518 0.76 TBXA2R (0.48) TBXA2RTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4596804-A ANTIALLERGENS KYOWA HAKKO KOGYO CO., LTD. (JP) 1986-06-24 US claimed
EP-0130555-A2 Dibenz (b,e) oxepin derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-01-09 EP claimed
US-4596804-A ANTIALLERGENS KYOWA HAKKO KOGYO CO., LTD. (JP) 1986-06-24 US disclosed
EP-0130555-A2 Dibenz (b,e) oxepin derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-01-09 EP disclosed