SCHEMBL10856111

SCHEMBL10856111

CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCBr)c(Br)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.66
▸ SIRT3 Q9NTG7 5/20 0.60
▸ PTPN1 P18031 3/20 0.59
▸ EYA3 Q99504 2/20 0.59
▸ SMPD1 P17405 1/20 0.57
▸ KDM5A P29375 3/20 0.56
▸ KDM7A Q6ZMT4 3/20 0.56
▸ KDM4A O75164 1/20 0.55
▸ ING2 Q9H160 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ TP53 P04637 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ THRA P10827 2/20 0.55
▸ THRB P10828 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

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
SCHEMBL10679251 0.89 SMPD1 (0.66) SIRT3EYA3SMPD1KDM5AKDM7A
SCHEMBL10856948 0.89 SIRT3 (0.59) TTRSIRT3PTPN1EYA3SMPD1
SCHEMBL10854519 0.85 SIRT3 (0.59) TTRSIRT3PTPN1EYA3SMPD1
SCHEMBL11847926 0.85 TTR (0.62) TTRSIRT3PTPN1EYA3KDM5A
SCHEMBL10672374 0.85 KDM5A (0.76) TTRSIRT3PTPN1EYA3KDM5A
SCHEMBL11844336 0.82 TTR (0.79) TTRSIRT3PTPN1EYA3KDM5A
SCHEMBL18743966 0.82 KDM7A (0.66) TTRSIRT3PTPN1EYA3SMPD1
SCHEMBL10670973 0.81 SIRT3 (0.82) SIRT3KDM5AKDM7AKDM4AING2
SCHEMBL10857421 0.81 KDM5A (0.76) TTRSIRT3PTPN1EYA3KDM5A
SCHEMBL10853515 0.80 SIRT3 (0.60) SIRT3PTPN1EYA3KDM5AKDM7A

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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