SCHEMBL9625600

SCHEMBL9625600

CCC=CC(=O)C(C)(C)Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.43
KDM4E B2RXH2 1/20 0.41
HPGD P15428 3/20 0.39
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
PPARG P37231 1/20 0.36
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PAX8 Q06710 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL10582270 1.00 RIPK1 (0.43) RIPK1KDM4EHPGDMAPTRAB9A
SCHEMBL16740573 0.79 THRA (0.47) RIPK1KDM4EHPGDMAPTTDP1
SCHEMBL9625597 0.76 RIPK1 (0.47) RIPK1KDM4EPOLBALDH1A1
SCHEMBL9625594 0.76 RIPK1 (0.47) RIPK1KDM4EPOLBALDH1A1
SCHEMBL9626513 0.74 RIPK1 (0.47) RIPK1KDM4EHPGDTDP1POLB
SCHEMBL5394972 0.74 PPARG (0.49) RIPK1KDM4EHPGDMAPTTDP1
SCHEMBL3832104 0.74 KCNN4 (0.48) RIPK1KDM4EHPGDTDP1POLB
SCHEMBL5381952 0.74 MMP8 (0.47) RIPK1KDM4EHPGDMAPTRAB9A
SCHEMBL20432396 0.72 RIPK1 (0.38) RIPK1KDM4EHPGDTDP1PPARG
SCHEMBL9875291 0.71 FAAH (0.54) RIPK1HPGD

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
EP-0322391-B1 NEW PHENYLALKYLAMINE DERIVATIVES AKTIEBOLAGET ASTRA (SE) 1992-03-25 EP disclosed
EP-0322391-A1 New phenylalkylamine derivatives AKTIEBOLAGET ASTRA (SE) 1989-06-28 EP disclosed