SCHEMBL28844938

SCHEMBL28844938

C=CCCc1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
ALOX15 P16050 1/20 0.43
HMGB1 P09429 2/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 3/20 0.39
FOLH1 Q04609 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.38
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL11858599 0.88 ALDH1A1 (0.47) ALDH1A1ALOX15KMT2AKDM4ECYP3A4
SCHEMBL1758773 0.80 ALDH1A1 (0.46) ALDH1A1ALOX15HMGB1KMT2AKDM4E
Phthalic Acid SCHEMBL23929048 0.79 ALDH1A1 (0.64) ALDH1A1ALOX15HMGB1KMT2AKDM4E
Phthalic Acid SCHEMBL21332399 0.79 ALDH1A1 (0.64) ALDH1A1ALOX15HMGB1KMT2AKDM4E
SCHEMBL4430320 0.79 FOLH1 (0.59) ALDH1A1ALOX15HMGB1KMT2AKDM4E
SCHEMBL28973887 0.78 ALDH1A1 (0.44) ALDH1A1ALOX15HMGB1KMT2AKDM4E
SCHEMBL27930244 0.78 ALDH1A1 (0.48) ALDH1A1ALOX15HMGB1KDM4EFOLH1
SCHEMBL28058314 0.76 GPR52 (0.49) ALDH1A1ALOX15TSHR
SCHEMBL9156347 0.75 ALDH1A1 (0.50) ALDH1A1ALOX15HMGB1KDM4EFOLH1
SCHEMBL27514007 0.74 ALDH1A1 (0.44) ALDH1A1ALOX15HMGB1KMT2AKDM4E

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
CN-103732606-B New cyclopentano [B] fluorenyl transition metal compound, the carbon monoxide-olefin polymeric comprising it and the method using its copolymer for preparing Alathon or ethene and alhpa olefin 沙特基础工业爱思开NEXLENE私人有限公司 2017-06-09 CN disclosed