SCHEMBL10456972

SCHEMBL10456972

CCc1ccc(C(F)(F)F)c(C(=O)O)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.41
▸ PLK1 P53350 1/20 0.36
▸ PLK3 Q9H4B4 1/20 0.36
▸ POLQ O75417 3/20 0.35
▸ HDAC4 P56524 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ RXRA P19793 2/20 0.34
▸ RXRB P28702 2/20 0.34
▸ RXRG P48443 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ ERCC5 P28715 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4849605 0.81 DAO (0.44) DAOPLK1PLK3RXRARXRB
SCHEMBL29702020 0.71 ALDH1A1 (0.43) DAOPLK1HDAC6ALDH1A1HPGD
SCHEMBL6293963 0.70 ALDH1A1 (0.46) RXRARXRBRXRGALDH1A1
SCHEMBL8047110 0.69 ALDH1A1 (0.41) DAORXRARXRBALDH1A1HPGD
SCHEMBL424607 0.69 POLQ (0.40) POLQRXRARXRBRXRGALDH1A1
SCHEMBL28678120 0.69 CYP2C8 (0.49) HDAC1HDAC6RXRARXRBRXRG
SCHEMBL504216 0.69 CA12 (0.46) DAOPLK1PLK3RXRARXRB
SCHEMBL21312967 0.68 GABRA1 (0.46) POLQLMNASMN1; SMN2
SCHEMBL7565059 0.68 DAO (0.42) DAOPLK1PLK3RXRARXRB
SCHEMBL19585735 0.68 DAO (0.42) DAORXRARXRBRXRGALDH1A1

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-0187462-B1 SUPPORTED OLEFIN POLYMERIZATION CATALYST AMOCO CORPORATION (US) 1990-04-25 — — EP claimed
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