SCHEMBL10178647

SCHEMBL10178647

CCC(C)c1cccc(Cn2c3ccccc3c(=O)c3ccccc32)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 4/20 0.57
▸ NTRK1 P04629 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ CYP19A1 P11511 1/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HDAC4 P56524 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ PARG Q86W56 1/20 0.40
▸ PTGS2 P35354 1/20 0.40

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
SCHEMBL10178502 0.92 CYP19A1 (0.53) P2RX4NTRK1CYP19A1KMT2ASMN1; SMN2
SCHEMBL6722016 0.85 P2RX4 (0.64) P2RX4NTRK1ALDH1A1CYP19A1KMT2A
SCHEMBL10179380 0.79 ALDH1A1 (0.46) P2RX4NTRK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6721982 0.76 CYP19A1 (0.58) P2RX4CYP19A1
SCHEMBL29904927 0.75 P2RX4 (1.00) P2RX4NTRK1ALDH1A1CYP19A1KMT2A
SCHEMBL14160818 0.75 P2RX4 (1.00) P2RX4NTRK1ALDH1A1CYP19A1KMT2A
SCHEMBL21365448 0.75 P2RX4 (0.68) P2RX4NTRK1ALDH1A1CYP19A1KMT2A
SCHEMBL21365454 0.74 P2RX4 (0.72) P2RX4NTRK1ALDH1A1KMT2AMAPK1
SCHEMBL10178500 0.74 CASP3 (0.56) ALDH1A1KMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL10178804 0.73 MEN1 (0.44) CYP19A1KMT2AMEN1HDAC4HDAC2

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
US-8124310-B2 Positive resist composition and pattern forming method using the same FUJIFILM CORPORATION (JP) 2012-02-28 — — US disclosed
US-20090087784-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 — — US disclosed
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