SCHEMBL14425218

SCHEMBL14425218

Cc1cc2c(cc1Nc1ccc(O)c(=O)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 10/20 0.40
▸ RXRA P19793 10/20 0.39
▸ CYP26B1 Q9NR63 4/20 0.39
▸ RARA P10276 4/20 0.38
▸ RARB P10826 4/20 0.38
▸ RARG P13631 4/20 0.38
▸ RXRB P28702 2/20 0.38
▸ RXRG P48443 2/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ MEN1 O00255 3/20 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
SCHEMBL14425212 0.82 RARG (0.47) CYP26A1RXRACYP26B1RARARARB
SCHEMBL14425219 0.82 FPR1 (0.37) CYP26A1RXRACYP26B1RARARARB
SCHEMBL28481448 0.81 EGFR (0.42) CYP26A1RXRACYP26B1RARARARB
SCHEMBL22836804 0.80 RXRA (0.62) CYP26A1RXRACYP26B1RARARARB
SCHEMBL23371572 0.78 CYP26A1 (0.44) CYP26A1RXRACYP26B1RARARARB
SCHEMBL17049086 0.77 CYP3A4 (0.51) CYP26A1RXRACYP26B1RARARARB
SCHEMBL23439027 0.76 CYP26A1 (0.46) CYP26A1RXRACYP26B1RARARARB
SCHEMBL24562676 0.76 RXRA (0.42) CYP26A1RXRACYP26B1RARARARB
SCHEMBL23927691 0.75 RXRA (0.41) CYP26A1RXRACYP26B1RARARARB
SCHEMBL23439405 0.74 CYP26A1 (0.42) CYP26A1RXRACYP26B1RARARARB

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-7259187-B2 Tropolone derivatives RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2007-08-21 — — US disclosed
US-7259187-B2 Tropolone derivatives RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2007-08-21 — — US disclosed
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