SCHEMBL14425239

SCHEMBL14425239

COc1ccc(CCc2ccc3c(c2)C(C)(C)CCC3(C)C)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP26B1 Q9NR63 4/20 0.48
▸ CYP26A1 O43174 4/20 0.48
▸ RXRA P19793 2/20 0.44
▸ RXRB P28702 1/20 0.44
▸ RXRG P48443 1/20 0.44
▸ RARA P10276 2/20 0.43
▸ RARB P10826 2/20 0.43
▸ RARG P13631 2/20 0.43
▸ CYP19A1 P11511 1/20 0.41
▸ DAO P14920 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ PPARG P37231 3/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38

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
SCHEMBL14425210 0.81 RARG (0.61) RXRARARARARBRARG
SCHEMBL14425241 0.80 CYP26B1 (0.53) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL14425245 0.79 RARG (0.58) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL14425213 0.78 TSHR (0.44) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL14425250 0.75 RARG (0.48) RXRARARARARBRARG
SCHEMBL9208986 0.72 RXRA (0.78) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL14425252 0.72 RARG (0.57) RXRARARARARBRARG
SCHEMBL2897524 0.72 CYP26B1 (0.53) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL16998630 0.71 CYP26B1 (0.51) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL4365965 0.71 CYP26B1 (0.55) CYP26B1CYP26A1RXRARXRBRXRG

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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