SCHEMBL10855599

SCHEMBL10855599

CCc1c(Cc2ncc[nH]2)oc2ccc(C(=O)O)cc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ TBXAS1 P24557 3/20 0.42
▸ TTR P02766 3/20 0.36
▸ MTNR1A P48039 2/20 0.36
▸ MTNR1B P49286 2/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.36
▸ EYA3 Q99504 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LTB4R Q15722 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34

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
SCHEMBL10851846 0.84 TBXAS1 (0.54) TAAR1HTR1ATBXAS1TTRKDM4E
SCHEMBL10861351 0.84 TBXAS1 (0.54) TAAR1HTR1ATBXAS1TTRNR1H4
SCHEMBL10860261 0.81 TAAR1 (0.43) TAAR1HTR1AALDH1A1
SCHEMBL10854298 0.80 TAAR1 (0.41) TAAR1HTR1A
SCHEMBL10852177 0.75 KDM4E (0.43) TAAR1TBXAS1KDM4EALDH1A1GAA
SCHEMBL10856277 0.72 ADRA2A (0.44) TAAR1HTR1ATBXAS1KDM4EALDH1A1
SCHEMBL10855586 0.71 TBXAS1 (0.76) TBXAS1
SCHEMBL10853051 0.69 TBXAS1 (0.55) TAAR1TBXAS1KDM4EALDH1A1
SCHEMBL149468 0.68 TBXAS1 (0.54) TAAR1HTR1ATBXAS1KDM4EALDH1A1
SCHEMBL28067592 0.68 KDM4E (0.44) TAAR1HTR1ATBXAS1KDM4EALDH1A1

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
EP-0073663-B1 THROMBOXANE SYNTHETASE INHIBITORS, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pfizer Limited (GB) 1986-06-18 — — EP disclosed
US-4590200-A NON-INHIBITION OF PROSTACYCLIN SYNTHETASE OR CYCLO-OXYGENASE PFIZER INC. (US) 1986-05-20 — — US disclosed
US-4496572-A Benzo-fused thromboxane synthetase inhibitors PFIZER INC. (US) 1985-01-29 — — US disclosed
EP-0073663-A2 Thromboxane synthetase inhibitors, processes for their production, and pharmaceutical compositions comprising them Pfizer Limited (GB) 1983-03-09 — — EP disclosed
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