SCHEMBL24259942

SCHEMBL24259942

CCc1cccc(S(=O)(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26B1 Q9NR63 5/20 0.57
CYP26A1 O43174 7/20 0.45
NAMPT P43490 2/20 0.43
LOXL2 Q9Y4K0 2/20 0.42
HTR6 P50406 1/20 0.40
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
SPPL2A Q8TCT8 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
RARA P10276 1/20 0.38
RARB P10826 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
SCHEMBL17911591 0.84 CYP26B1 (0.66) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL12051265 0.81 LOXL2 (0.55) NAMPTLOXL2HTR6ALDH1A1TSHR
SCHEMBL16516901 0.81 CYP26B1 (0.56) CYP26B1CYP26A1NAMPTRXRARXRB
SCHEMBL10180577 0.76 HTR6 (0.64) NAMPTLOXL2HTR6ALDH1A1TSHR
SCHEMBL16516315 0.76 CYP26B1 (0.50) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL3176733 0.76 RXRA (0.54) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL16516911 0.75 CYP26B1 (0.77) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL30175054 0.75 CYP26B1 (0.60) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL8013234 0.75 CYP26B1 (0.58) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL23897669 0.73 KMT2A (0.50) NAMPTLOXL2HTR6ALDH1A1TSHR

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-3044216-B1 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2022-02-23 EP disclosed