SCHEMBL30494153

SCHEMBL30494153

CCCCCC[C@H](C)OC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)O[C@@H](C)CCCCCC)c(F)c3)cc2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
RARB P10826 4/20 0.54
RARA P10276 2/20 0.54
RARG P13631 1/20 0.54
MAPT P10636 1/20 0.42
FAAH O00519 7/20 0.41
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 3/20 0.40
CNR2 P34972 1/20 0.40
PTPN11 Q06124 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
NPC1 O15118 1/20 0.38
MGLL Q99685 3/20 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
SCHEMBL25953924 1.00 ALDH1A1 (0.57) ALDH1A1RARBRARARARGMAPT
SCHEMBL25953996 0.91 ALDH1A1 (0.49) ALDH1A1RARBRARARARGMAPT
SCHEMBL25953903 0.91 ALDH1A1 (0.49) ALDH1A1RARBRARARARGMAPT
SCHEMBL25954000 0.90 ALDH1A1 (0.47) ALDH1A1RARBRARARARGMAPT
SCHEMBL25954027 0.87 ALDH1A1 (0.46) ALDH1A1RARBRARARARGMAPT
SCHEMBL7120872 0.87 ALDH1A1 (0.57) ALDH1A1RARBRARARARGMAPT
SCHEMBL8610288 0.87 ALDH1A1 (0.57) ALDH1A1RARBRARARARGMAPT
SCHEMBL9344940 0.87 ALDH1A1 (0.57) ALDH1A1RARBRARARARGMAPT
SCHEMBL7120866 0.87 ALDH1A1 (0.57) ALDH1A1RARBRARARARGMAPT
SCHEMBL25953902 0.86 ALDH1A1 (0.56) ALDH1A1RARBRARARARGMAPT

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
US-12480049-B2 Compound and liquid crystal composition THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2025-11-25 US disclosed
US-20230250338-A1 COMPOUND AND LIQUID CRYSTAL COMPOSITION THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-08-10 US disclosed