SCHEMBL10853515

SCHEMBL10853515

CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCO)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT3 Q9NTG7 4/20 0.60
▸ EYA3 Q99504 2/20 0.59
▸ PTPN1 P18031 1/20 0.59
▸ KDM5A P29375 8/20 0.59
▸ KDM7A Q6ZMT4 5/20 0.59
▸ KDM4A O75164 3/20 0.58
▸ ING2 Q9H160 1/20 0.58
▸ THRA P10827 2/20 0.56
▸ THRB P10828 2/20 0.56
▸ ABCB1 P08183 2/20 0.55
▸ MLNR O43193 1/20 0.55
▸ CACNA1F O60840 1/20 0.55
▸ PHF2 O75151 1/20 0.55
▸ ABCB11 O95342 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ NR3C1 P04150 1/20 0.55
▸ ERBB2 P04626 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ FYN P06241 1/20 0.55

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
SCHEMBL10856948 0.91 SIRT3 (0.59) SIRT3EYA3PTPN1KDM5AKDM7A
SCHEMBL10854519 0.91 SIRT3 (0.59) SIRT3EYA3PTPN1KDM5AKDM7A
SCHEMBL11858284 0.88 EYA3 (0.64) SIRT3EYA3PTPN1KDM5AKDM7A
SCHEMBL11849394 0.85 SIRT3 (0.56) SIRT3EYA3PTPN1KDM5AKDM7A
SCHEMBL10855513 0.84 SIRT3 (0.53) SIRT3EYA3PTPN1KDM5AKDM7A
SCHEMBL18743966 0.82 KDM7A (0.66) SIRT3EYA3PTPN1KDM5AKDM7A
SCHEMBL19895690 0.81 KDM5A (0.85) SIRT3KDM5AKDM7AKDM4AING2
SCHEMBL10856111 0.80 TTR (0.66) SIRT3EYA3PTPN1KDM5AKDM7A
SCHEMBL11843232 0.80 EYA3 (0.77) SIRT3EYA3PTPN1KDM5AKDM7A
SCHEMBL10679251 0.80 SMPD1 (0.66) SIRT3EYA3KDM5AKDM7AKDM4A

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-4565828-A CARDIOVASCULAR DISORDERS, ANTAGONIST OF CALCIUM SANOFI (FR) 1986-01-21 — — US disclosed
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