SCHEMBL367301

SCHEMBL367301

COC1CCC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)OCC(=O)c2ccccc2)=C1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP26A1 O43174 5/20 0.49
RARA P10276 6/20 0.46
RXRA P19793 5/20 0.43
RARB P10826 4/20 0.43
RARG P13631 4/20 0.43
PTGS1 P23219 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 3/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
RORC P51449 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
MAPK1 P28482 2/20 0.43
HTR2B P41595 2/20 0.43
BLM P54132 2/20 0.43
GMNN O75496 2/20 0.43
PMP22 Q01453 2/20 0.43

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
SCHEMBL8571918 1.00 MAPT (0.52) MAPTALDH1A1SMN1; SMN2CYP26A1RARA
SCHEMBL8596761 1.00 MAPT (0.52) MAPTALDH1A1SMN1; SMN2CYP26A1RARA
SCHEMBL342372 0.83 ALDH1A1 (0.65) MAPTALDH1A1SMN1; SMN2RARARXRA
SCHEMBL4730914 0.83 ALDH1A1 (0.65) MAPTALDH1A1SMN1; SMN2RARARXRA
SCHEMBL8984727 0.83 ALDH1A1 (0.65) MAPTALDH1A1SMN1; SMN2RARARXRA
SCHEMBL4903038 0.83 ALDH1A1 (0.65) MAPTALDH1A1SMN1; SMN2RARARXRA
SCHEMBL8975623 0.79 MAPT (0.58) MAPTALDH1A1SMN1; SMN2CYP26A1RARA
SCHEMBL8984774 0.79 ALDH1A1 (0.61) MAPTALDH1A1SMN1; SMN2RARARXRA
SCHEMBL8984722 0.76 ALDH1A1 (0.64) MAPTALDH1A1SMN1; SMN2RARARXRA
Isotretinoin Anisatil SCHEMBL4784232 0.76 RBP4 (0.59) MAPTALDH1A1SMN1; SMN2RARARXRA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012008767-A2 RETINOID DERIVATIVES AND COSMETIC COMPOSITION COMPRISING THE SAME PARAON, INC. (KR) 2012-01-19 WO disclosed
EP-1068181-B1 POLYETHOXYLATED RETINAMIDE DERIVATIVES AND PROCESS FOR PREPARING THE SAME LG CHEMICAL LTD (KR) 2003-05-07 EP disclosed
US-6316644-B1 COSMETICS; AGING RESISTANCE OF SKIN; CATALYTIC AMIDATION OF RETINYL HALIDE OR RETINOIC ACID AND POLYOXYETHYLENE GLYCOL AMINE LG CHEMICAL LTD. (KR) 2001-11-13 US disclosed