SCHEMBL25798486

SCHEMBL25798486

COCCCCCCCCCCCOc1ccc(OC(F)(F)F)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR5A1 Q13285 1/20 0.41
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40
▸ TUBB8 Q3ZCM7 1/20 0.40
▸ TUBA3E Q6PEY2 1/20 0.40
▸ TUBA1A Q71U36 1/20 0.40
▸ TUBA1C Q9BQE3 1/20 0.40
▸ TUBB6 Q9BUF5 1/20 0.40
▸ TUBB2B Q9BVA1 1/20 0.40
▸ TUBB1 Q9H4B7 1/20 0.40
▸ ADRB2 P07550 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.37
▸ CNR2 P34972 2/20 0.36

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
SCHEMBL25797928 0.93 NR5A1 (0.42) NR5A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25797620 0.89 NR5A1 (0.55) NR5A1CNR2PDK2
SCHEMBL26548198 0.87 FFAR4 (0.40) NR5A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL26331510 0.87 PDK2 (0.46) NR5A1FFAR4CNR2PDK2
SCHEMBL25797649 0.87 PDK2 (0.46) NR5A1FFAR4CNR2PDK2
SCHEMBL25797703 0.86 MAOB (0.43) NR5A1MAOBFFAR4
SCHEMBL25797920 0.80 APP (0.46) NR5A1ADRB2FFAR4PDK2
SCHEMBL25797846 0.80 APP (0.46) NR5A1ADRB2FFAR4PDK2
SCHEMBL24436846 0.78 ALDH1A1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25797612 0.77 NR5A1 (0.51) NR5A1CNR2PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4194434-A1 POLYURETHANE, METHOD FOR PRODUCING POLYURETHANE, ELECTROCONDUCTIVE PASTE COMPOSITION, ELECTROCONDUCTIVE WIRE, AND METHOD FOR PRODUCING ELECTROCONDUCTIVE WIRE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-06-14 — — EP disclosed
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