SCHEMBL18643233

SCHEMBL18643233

CCCC(C)(CCC)c1cc(C)no1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RORC P51449 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL26076127 0.87 CYP1A2 (0.39) POLBCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL18856538 0.87 CYP1A2 (0.39) POLBCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL19134507 0.86 CYP1A2 (0.38) POLBCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL20320538 0.85 POLB (0.38) POLBCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL20320523 0.84 POLB (0.36) POLBCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL14530597 0.76 POLB (0.36) POLBCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL171117 0.74 KMT2A (0.48) POLBHCAR2MEN1KMT2AALDH1A1
SCHEMBL20320359 0.74 TP53 (0.31) POLBRORCTP53
SCHEMBL18948838 0.72
SCHEMBL18483392 0.72 HCAR2 (0.32) POLBHCAR2MEN1KMT2AALDH1A1

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
EP-2440550-B1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV LEUVEN KATH (BE) 2017-03-15 EP disclosed