SCHEMBL8369178

SCHEMBL8369178

O=C(O)c1ccc2c(c1)CCCC2C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
KDM1A O60341 1/20 0.43
SRD5A2 P31213 5/20 0.41
SRD5A1 P18405 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
GRM1 Q13255 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
KMO O15229 1/20 0.41
CYP1A2 P05177 1/20 0.39
HTT P42858 1/20 0.39
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 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
SCHEMBL8370378 0.87 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTKDM1ASRD5A2
SCHEMBL30877941 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTKDM1ASRD5A2
SCHEMBL4337340 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTKDM1ASRD5A2
SCHEMBL4337336 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTKDM1ASRD5A2
SCHEMBL2815223 0.82 ESR1 (0.51) MAP4K4PDE5A
SCHEMBL9522311 0.81 KDM5A (0.42) SRD5A1KMT2AKDM5AKDM4CKDM5B
SCHEMBL9055964 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTKDM1ASRD5A2
SCHEMBL17258086 0.81 BRD4 (0.43) MAP4K4PDE5A
SCHEMBL19643503 0.81 MAP4K4 (0.48) SRD5A2SRD5A1KDM5AKDM4CMAP4K4
SCHEMBL15897038 0.81 CAMK2A (0.52) KDM1ASRD5A2SRD5A1TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999061506-A1 THERMOSETTING COATING COMPOSITIONS BASED ON POLYESTERS EASTMAN CHEMICAL COMPANY (US) 1999-12-02 WO claimed
WO-1999061506-A1 THERMOSETTING COATING COMPOSITIONS BASED ON POLYESTERS EASTMAN CHEMICAL COMPANY (US) 1999-12-02 WO disclosed