SCHEMBL26374247

SCHEMBL26374247

CCC(C)(CC(CC(C)c1ccc(O)cc1)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
TRPA1 O75762 4/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
RIPK1 Q13546 1/20 0.34
CTSK P43235 2/20 0.33
MAPT P10636 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL26374273 0.90 LMNA (0.36) ESR1LMNA
SCHEMBL23418220 0.88 TRPA1 (0.40) ESR1TRPA1LMNAHSD17B10RIPK1
SCHEMBL26374261 0.88 LTB4R (0.38) ESR1LTB4RLTB4R2CTSKPRKCA
SCHEMBL12578602 0.84 ESR1 (0.39) ESR1LMNACTSKMAPTOPRM1
SCHEMBL17721325 0.83 RIPK1 (0.42) TRPA1LTB4RLTB4R2RIPK1CTSK
SCHEMBL2736409 0.82 CYP2C9 (0.35) ESR1LMNAHSD17B10CTSKMAPT
SCHEMBL26374242 0.81 ESR1 (0.32) ESR1TRPA1LMNAHSD17B10LTB4R
SCHEMBL26374254 0.81 CTSK (0.32) ESR1TRPA1LMNAHSD17B10LTB4R
SCHEMBL15979584 0.80 ESR1 (0.40) ESR1LMNAHSD17B10LTB4RLTB4R2
SCHEMBL26374250 0.79 ALDH1A1 (0.31) ESR1

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
US-20230314943-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND METHOD FOR MANUFACTURING RESIST FILM USING THE SAME MERCK PATENT GMBH (DE) 2023-10-05 US disclosed