SCHEMBL30701838

SCHEMBL30701838

CC1(C)CCC(C)(C)c2cc(O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.49
RXRB P28702 10/20 0.49
RARB P10826 9/20 0.49
RARG P13631 8/20 0.49
RXRG P48443 6/20 0.49
RARA P10276 6/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP26A1 O43174 2/20 0.45
CYP3A4 P08684 2/20 0.45
CRABP2 P29373 1/20 0.45
CYP26B1 Q9NR63 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL1360287 1.00 RXRA (0.49) RXRARXRBRARBRARGRXRG
SCHEMBL9721391 0.86 OPRM1 (0.41) RXRARXRBRARBRARGRXRG
SCHEMBL13625257 0.84 TP53 (0.44) RXRARXRBRARBRARGRXRG
SCHEMBL5847673 0.84 RARB (0.58) RXRARXRBRARBRARGRXRG
SCHEMBL10834419 0.82 RARA (0.64) RXRARARBRARGRARACYP1A2
SCHEMBL12014319 0.81 DRD2 (0.47) TP53CYP1A2CYP3A4ALDH1A1LMNA
Methane SCHEMBL10834484 0.80 RARA (0.62) RXRARARBRARGRARACYP1A2
SCHEMBL2003721 0.79 OPRM1 (0.37) RXRARXRBRARBRARGRXRG
SCHEMBL29900519 0.79 OPRM1 (0.37) RXRARXRBRARBRARGRXRG
SCHEMBL3264817 0.79 OPRM1 (0.37) RXRARXRBRARBRARGRXRG

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
EP-4543430-A1 SYNTHESIS OF TETRAHYDRONAPHTHALENOLS AND USES THEREOF IO Therapeutics, Inc. (US) 2025-04-30 EP disclosed
WO-2024006732-A1 SYNTHESIS OF TETRAHYDRONAPHTHALENOLS AND USES THEREOF Io Therapeutics, Inc. (US) 2024-01-04 WO disclosed