SCHEMBL7544110

SCHEMBL7544110

COc1ccc(CCI)cc1.[Zn]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.61
MAOB P27338 2/20 0.55
CALM1 P0DP23 2/20 0.55
IDO1 P14902 2/20 0.54
AOC3 Q16853 2/20 0.53
SIGMAR1 Q99720 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
F2RL1 P55085 1/20 0.52
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52

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
SCHEMBL178692 0.98 TAAR1 (0.64) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL9826743 0.95 TAAR1 (0.61) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL7549717 0.89 CALM1 (0.60) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL5168832 0.86 CALM1 (0.62) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL834551 0.85 TAAR1 (0.73) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL5045835 0.85 CALM1 (0.60) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL11401615 0.83 CALM1 (0.58) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL11552206 0.83 CALM1 (0.58) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL8862060 0.83 CALM1 (0.58) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL250274 0.81 TAAR1 (0.61) TAAR1MAOBCALM1IDO1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6482990-B1 Prostaglandin E analogues TAISHO PHARMACEUTICAL CO., LTD. (JP) 2002-11-19 US disclosed
EP-1211241-A1 PROSTAGLANDIN E ANALOGUES TAISHO PHARMACEUTICAL CO., LTD (JP) 2002-06-05 EP disclosed