SCHEMBL4900396

SCHEMBL4900396

C=COC(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP2C9 P11712 1/20 0.44
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
USP5 P45974 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
TYR P14679 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL295796 0.84 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL26125400 0.83 ALDH1A1 (0.49) ALDH1A1CYP2C9PRSS1ACRUSP5
SCHEMBL28944014 0.82 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ALMNAMAPT
Acetic Acid SCHEMBL27275952 0.80 TSHR (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6895705 0.79 HTT (0.50) ALDH1A1CYP2C9PRSS1ACRUSP5
SCHEMBL24858702 0.79 CA1 (0.57) ALDH1A1MEN1KMT2AHTTMAPK1
SCHEMBL2538499 0.79 CES2 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL10951785 0.79 LMNA (0.50) ALDH1A1CYP2C9PRSS1POLBMEN1
SCHEMBL714705 0.79 TDP1 (0.57) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL9312034 0.79 MAPT (0.48) ALDH1A1POLBKMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002520-A1 CURABLE COMPOSITION, CURED PRODUCT, AND METHOD FOR PRODUCING CURED PRODUCT TOKYO OHKA KOGYO CO., LTD. (JP) 2023-01-05 US disclosed
US-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 US disclosed
US-7204997-B2 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2007-04-17 US disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed