SCHEMBL9464102

SCHEMBL9464102

COC(=O)C1CCC(CCCCCC2CCC(C(=O)OC)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TP53 P04637 2/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM5A P29375 1/20 0.41
KDM7A Q6ZMT4 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
PHF8 Q9UPP1 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
PKM P14618 1/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 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
SCHEMBL10940617 0.93 TP53 (0.54) ALDH1A1TP53HTTMEN1KMT2A
SCHEMBL7212566 0.93 TP53 (0.54) ALDH1A1TP53HTTMEN1KMT2A
SCHEMBL7212571 0.93 TP53 (0.54) ALDH1A1TP53HTTMEN1KMT2A
SCHEMBL14926350 0.93 TP53 (0.54) ALDH1A1TP53HTTMEN1KMT2A
SCHEMBL14231921 0.91 CYP1A2 (0.52) ALDH1A1TP53HTTMEN1KMT2A
SCHEMBL13233364 0.91 CYP1A2 (0.52) ALDH1A1TP53HTTMEN1KMT2A
SCHEMBL9921411 0.89 HTT (0.50) ALDH1A1TP53HTTMEN1KMT2A
SCHEMBL10394724 0.89 HTT (0.50) ALDH1A1TP53HTTMEN1KMT2A
SCHEMBL10392611 0.89 HTT (0.50) ALDH1A1TP53HTTMEN1KMT2A
SCHEMBL14128898 0.87 ALDH1A1 (0.44) ALDH1A1TP53HTTSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5187304-A 1,5-Bis/4-carboxycyclohexyl/-3-pentanol and derivatives as monomers for polyester coatings or molding materials EASTMAN KODAK COMPANY (US) 1993-02-16 US disclosed
US-5144003-A Curable copolymers containing 1,5-bis(4-carboxycyclohexyl)-3-pentanol monomer; castings and moldings EASTMAN KODAK COMPANY (US) 1992-09-01 US disclosed
US-5025086-A Hardness, flexibility EASTMAN KODAK COMPANY (US) 1991-06-18 US disclosed