SCHEMBL9339741

SCHEMBL9339741

CCCCCc1cccc(C=CC(=O)c2ccc(SCC)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HB P07237 2/20 0.47
▸ ATG4B Q9Y4P1 12/20 0.47
▸ PLA2G1B P04054 10/20 0.47
▸ THRA P10827 2/20 0.47
▸ THRB P10828 2/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ MEF2D Q14814 1/20 0.46
▸ TUBB4A P04350 2/20 0.44
▸ TUBB P07437 2/20 0.44
▸ TUBA3C P0DPH7 2/20 0.44
▸ TUBA1B P68363 2/20 0.44
▸ TUBA4A P68366 2/20 0.44
▸ TUBB4B P68371 2/20 0.44
▸ TUBB3 Q13509 2/20 0.44
▸ TUBB2A Q13885 2/20 0.44
▸ TUBB8 Q3ZCM7 2/20 0.44
▸ TUBA3E Q6PEY2 2/20 0.44

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
SCHEMBL9339730 1.00 P4HB (0.47) P4HBATG4BPLA2G1BTHRATHRB
SCHEMBL9342514 0.99 THRA (0.49) P4HBATG4BPLA2G1BTHRATHRB
SCHEMBL9342508 0.99 THRA (0.49) P4HBATG4BPLA2G1BTHRATHRB
SCHEMBL9338145 0.97 HDAC4 (0.49) P4HBATG4BPLA2G1BTHRATHRB
SCHEMBL9338134 0.97 HDAC4 (0.49) P4HBATG4BPLA2G1BTHRATHRB
SCHEMBL9338688 0.92 MAOB (0.45) P4HB
SCHEMBL9338674 0.92 MAOB (0.45) P4HB
SCHEMBL10497769 0.91 THRA (0.48) P4HBATG4BPLA2G1BTHRATHRB
SCHEMBL10497793 0.91 THRA (0.48) P4HBATG4BPLA2G1BTHRATHRB
SCHEMBL10498328 0.89 HDAC4 (0.47) P4HBATG4BPLA2G1BTHRATHRB

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-0328668-B1 NONLINEAR OPTICAL MATERIAL NIPPON OILS & FATS CO LTD (JP) 1994-05-25 — — EP disclosed
US-5045239-A Chalcone derivative NIPPON OIL AND FATS CO., LTD. (JP) 1991-09-03 — — US disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
EP-0328668-A1 NONLINEAR OPTICAL MATERIAL NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
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