SCHEMBL27909025

SCHEMBL27909025

C=C(C)C(=O)OC(CCCCC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TSHR P16473 2/20 0.41
SLC37A4 O43826 1/20 0.40
NAAA Q02083 2/20 0.40
POLB P06746 1/20 0.40
CNR2 P34972 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ASAH1 Q13510 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
SCHEMBL4447340 0.99 ALDH1A1 (0.45) ALDH1A1TSHRSLC37A4NAAAPOLB
SCHEMBL6446367 0.99 ALDH1A1 (0.45) ALDH1A1TSHRSLC37A4NAAAPOLB
SCHEMBL1562513 0.99 ALDH1A1 (0.45) ALDH1A1TSHRSLC37A4NAAAPOLB
Methacrylic Acid SCHEMBL28345316 0.96 ALDH1A1 (0.43) ALDH1A1TSHRSLC37A4NAAAPOLB
SCHEMBL1130647 0.96 POLB (0.43) ALDH1A1TSHRNAAAPOLBCNR2
SCHEMBL2319089 0.90 HPGD (0.40) ALDH1A1POLBLMNAPPARGPPARA
SCHEMBL30505598 0.87 ALDH1A1 (0.35) ALDH1A1TSHRSLC37A4NAAAPOLB
SCHEMBL9453824 0.85 THRA (0.42) ALDH1A1TSHRSLC37A4
SCHEMBL29031664 0.84 ALDH1A1 (0.42) ALDH1A1NAAAPOLBCNR2NPC1
SCHEMBL23664923 0.84 ALDH1A1 (0.49) ALDH1A1NAAAPOLBCNR2NPC1

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
CN-116348501-A Liquid crystal composition, method for manufacturing liquid crystal display element, and liquid crystal display element 日产化学株式会社 2023-06-27 CN disclosed
CN-103153620-A Method for producing a film for a security and/or valuable document BUNDESDRUCKEREI GMBH 2013-06-12 CN disclosed