SCHEMBL21800979

SCHEMBL21800979

CCCCCCCCCCCCCCc1ccccc1C(=O)OCCCCCCCCCCCC

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.77
TSHR P16473 5/20 0.77
LMNA P02545 3/20 0.77
MAPK1 P28482 3/20 0.73
CYP3A4 P08684 2/20 0.73
TP53 P04637 1/20 0.73
KDM4E B2RXH2 3/20 0.67
HSD17B10 Q99714 2/20 0.67
POLB P06746 1/20 0.67
L3MBTL1 Q9Y468 3/20 0.66
TDP1 Q9NUW8 2/20 0.66
SCN1A P35498 2/20 0.55
SCN2A Q99250 2/20 0.55
SCN3A Q9NY46 2/20 0.55
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL1147852 1.00 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL2385142 1.00 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL28239832 1.00 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL451075 1.00 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL2385137 1.00 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL5407185 0.97 ALDH1A1 (0.71) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL28106513 0.97 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL5407181 0.97 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL27975029 0.97 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL28149248 0.97 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4

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-2023180256-A1 COMPOSITION COMPRISING ETHYL CELLULOSE, A MONOALCOHOL, A VOLATILE HYDROCARBON-BASED OIL, A NON-VOLATILE ALKANE OIL, A MONO- OR DI-ESTER OF A FATTY ACID AND OF POLYGLYCEROL AND AN ESTER OIL L'OREAL (FR) 2023-09-28 WO disclosed
EP-4176936-A1 COSMETIC COMPOSITION FOR PROTECTING THE SKIN AND HAIR AGAINST SOLAR RADIATION Martiderm, SL (ES) 2023-05-10 EP disclosed
US-20200086097-A1 PUMP SPRAY OR PRESSURIZED AEROSOL DEVICE WITH APPLICATOR ARM NANOMETICS LLC (US) 2020-03-19 US disclosed