SCHEMBL861853

SCHEMBL861853

CC(=CCc1ccco1)C(=O)O.CCCCC=C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
RAB9A P51151 1/20 0.43
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 5/20 0.40
ATM Q13315 1/20 0.39
KDM4E B2RXH2 3/20 0.38
USP2 O75604 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL861851 1.00 POLB (0.43) POLBRAB9APPARGPPARDCYP1A2
SCHEMBL466030 0.89 ALDH1A1 (0.49) POLBRAB9APPARGCYP2C19MAPT
SCHEMBL151791 0.89 ALDH1A1 (0.49) POLBRAB9APPARGCYP2C19MAPT
SCHEMBL28206057 0.87 ALDH1A1 (0.47) POLBRAB9APPARGCYP2C19MAPT
SCHEMBL28497972 0.83 PPARD (0.41) POLBRAB9APPARGPPARDCYP1A2
SCHEMBL28488916 0.81 TSHR (0.44) POLBCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL28514816 0.77 ALDH1A1 (0.56) POLBRAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL28514814 0.77 ALDH1A1 (0.46) POLBCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL11791621 0.76 EP300 (0.44) POLBCYP1A2CYP2C9CYP2C19MAPT
SCHEMBL11791619 0.76 EP300 (0.44) POLBCYP1A2CYP2C9CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2434528-A1 An active carrier for carrying a wafer and method for release Nederlandse Organisatie voor toegepast -natuurwetenschappelijk onderzoek TNO (NL) 2012-03-28 EP disclosed