SCHEMBL22973673

SCHEMBL22973673

CC1(C(=O)O)CC2OC2CC1(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 2/20 0.48
NFKB1 P19838 2/20 0.48
THPO P40225 2/20 0.48
GMNN O75496 2/20 0.48
PMP22 Q01453 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CYP2C19 P33261 1/20 0.48
STAT6 P42226 1/20 0.48
HIF1A Q16665 1/20 0.48
NPC1 O15118 1/20 0.48
MTOR P42345 1/20 0.48
RAB9A P51151 1/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
APLNR P35414 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TFPI2 P48307 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL14593848 0.75 MAPK1 (0.34) LMNAMAPK1TP53NFKB1THPO
SCHEMBL1857024 0.74 APLNR (0.40) LMNAMAPK1TP53NFKB1THPO
SCHEMBL1859620 0.74 APLNR (0.40) LMNAMAPK1TP53NFKB1THPO
SCHEMBL12763454 0.74 APLNR (0.40) LMNAMAPK1TP53NFKB1THPO
SCHEMBL11859679 0.73 LMNA (0.42) LMNAMAPK1TP53NFKB1THPO
SCHEMBL1547983 0.72 MAPK1 (0.45) LMNAMAPK1TP53NFKB1THPO
SCHEMBL2031071 0.70 CYP2C19 (0.38) LMNAMAPK1TP53NFKB1THPO
SCHEMBL4601279 0.70 MAPK1 (0.39) LMNAMAPK1TP53NFKB1THPO
SCHEMBL11866220 0.70 MAPK1 (0.39) LMNAMAPK1TP53NFKB1THPO
SCHEMBL1854852 0.68 APLNR (0.36) LMNAMAPK1TP53NFKB1THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018115-B2 Polyurethane gel material, polyurethane gel, pseudo-biomaterial, and producing method of polyurethane gel MITSUI CHEMICALS, INC. (JP) 2024-06-25 US disclosed
WO-2022145464-A1 CURABLE RESIN COMPOSITION, CURABLE RESIN COMPOSITION FOR 3D PRINTERS, AND CURED RESIN PRODUCT 三井化学株式会社 2022-07-07 WO disclosed
US-20210139639-A1 POLYURETHANE GEL MATERIAL, POLYURETHANE GEL, PSEUDO-BIOMATERIAL, AND PRODUCING METHOD OF POLYURETHANE GEL MITSUI CHEMICALS, INC. (JP) 2021-05-13 US disclosed
US-20210139636-A1 POLYURETHANE GEL MATERIAL, POLYURETHANE GEL, PSEUDO-BIOMATERIAL, AND PRODUCING METHOD OF POLYURETHANE GEL MITSUI CHEMICALS, INC. (JP) 2021-05-13 US disclosed
EP-3778690-A1 POLYURETHANE GEL MATERIAL, POLYURETHANE GEL, PSEUDO-BIOLOGICAL MATERIAL, AND PRODUCTION METHOD FOR POLYURETHANE GEL Mitsui Chemicals, Inc. (JP) 2021-02-17 EP disclosed
EP-3778689-A1 POLYURETHANE GEL MATERIAL, POLYURETHANE GEL, PSEUDO-BIOLOGICAL MATERIAL, AND PRODUCTION METHOD FOR POLYURETHANE GEL Mitsui Chemicals, Inc. (JP) 2021-02-17 EP disclosed