SCHEMBL4450282

SCHEMBL4450282

CC(=CC=C(C)c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.50
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
DEGS1 O15121 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2C9 P11712 1/20 0.40
AKR1C1 Q04828 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL11206059 0.84 KDM1A (0.48) CES2CES1DEGS1ALDH1A1TSHR
SCHEMBL6900954 0.84 KDM1A (0.48) CES2CES1DEGS1ALDH1A1TSHR
SCHEMBL23458124 0.84 KDM1A (0.48) CES2CES1DEGS1ALDH1A1TSHR
SCHEMBL23458237 0.84 KDM1A (0.48) CES2CES1DEGS1ALDH1A1TSHR
SCHEMBL10397769 0.83 AKR1C3 (0.50) AKR1C3CES2CES1ALDH1A1TSHR
SCHEMBL10397770 0.83 AKR1C3 (0.50) AKR1C3CES2CES1ALDH1A1TSHR
SCHEMBL1413965 0.81 TSHR (0.47) CES2CES1DEGS1ALDH1A1TSHR
SCHEMBL19836536 0.81 ALDH1A1 (0.53) ALDH1A1TDP1MAPT
SCHEMBL2967931 0.80 CES2 (0.42) AKR1C3CES2CES1DEGS1ALDH1A1
SCHEMBL28337501 0.79 AKR1C3 (0.46) AKR1C3CES2CES1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541503-B1 INTEGRALLY ASYMMETICAL, ISOPOROUS BLOCK COPOLYMER MEMBRANES IN FLAT SHEET GEOMETRY HELMHOLTZ ZENTRUM GEESTHACHT (DE) 2020-07-22 EP claimed
EP-0547607-B1 Thermal transfer sheet DIAFOIL HOECHST CO LTD (JP) 1995-05-17 EP claimed
EP-0080072-B1 PREPARATION PROCESS OF IMPACT RESISTANT MOULDINGS RÖHM GMBH (DE) 1988-06-01 EP claimed
EP-2129731-A2 INKJET INK COMPOSITIONS COMPRISING MULTIPLE MODIFIED PIGMENTS Cabot Corporation (US) 2009-12-09 EP disclosed
WO-2008106114-A2 INKJET INK COMPOSITIONS COMPRISING MULTIPLE MODIFIED PIGMENTS CABOT CORPORATION (US) 2008-09-04 WO disclosed
EP-1951819-A2 MODIFIED COLORANTS AND INKJET INK COMPOSITIONS COMPRISING MODIFIED COLORANTS Cabot Corporation (US) 2008-08-06 EP disclosed
WO-2007053563-A2 MODIFIED COLORANTS AND INKJET INK COMPOSITIONS COMPRISING MODIFIED COLORANTS CABOT CORPORATION (US) 2007-05-10 WO disclosed
US-4904574-A INCLUDING METAL COMPLEX FUJI PHOTO FILM CO., LTD. (JP) 1990-02-27 US disclosed