SCHEMBL14294666

SCHEMBL14294666

C=C(C)c1cc(CC)cc(C(c2cc(CC)cc(C(C)(C)C)c2O)C2CCCCC2)c1O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.39
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 3/20 0.33
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
HMGCR P04035 1/20 0.32
HIF1A Q16665 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
TSHR P16473 2/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL14258306 0.89 HSPA5 (0.48) HSPA5ALDH1A1KDM4ETDP1GAA
SCHEMBL14294528 0.88 KDM4E (0.33) ALDH1A1KDM4ETDP1GAACYP2C9
SCHEMBL14294668 0.84 HSPA5 (0.36) HSPA5ALDH1A1KDM4EGAA
SCHEMBL13995374 0.83 HSPA5 (0.47) HSPA5ALDH1A1KDM4ETDP1GAA
SCHEMBL13660650 0.83 SMN1; SMN2 (0.40) HSPA5ALDH1A1CYP2C9CYP2C19HIF1A
SCHEMBL14294665 0.81 HSPA5 (0.38) HSPA5ALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL14571903 0.80 ALDH1A1 (0.40) HSPA5ALDH1A1KDM4ETDP1GAA
SCHEMBL13660432 0.80 HSPA5 (0.46) HSPA5ALDH1A1KDM4ETDP1GAA
SCHEMBL14297245 0.78 HSPA5 (0.36) HSPA5
SCHEMBL14469824 0.78 HSPA5 (0.43) HSPA5ALDH1A1KDM4ETDP1GAA

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
US-20080050683-A1 Photothermographic material FUJIFILM CORPORATION (JP) 2008-02-28 US disclosed