SCHEMBL103368

SCHEMBL103368

O=c1c2c(n(CCO)c3ccccc13)CCC=C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.40
▸ GLA P06280 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ DHFR P00374 1/20 0.38
▸ P2RX4 Q99571 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MAP3K11 Q16584 1/20 0.35

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
SCHEMBL15149266 0.84 ALDH1A1 (0.55) GLAALDH1A1KDM4EDHFRP2RX4
SCHEMBL18713337 0.83 GLA (0.58) GLAKDM4E
SCHEMBL31124810 0.75 ALDH1A1 (0.60) ABCB1GLAALDH1A1KDM4EPOLB
SCHEMBL19393423 0.73 P2RX4 (0.40) MAPTP2RX4LMNA
SCHEMBL30223689 0.72 ALDH1A1 (0.39) GLAALDH1A1TSHRNPSR1KDM4E
SCHEMBL26407841 0.72 KDM4E (0.47) ALDH1A1TSHRNPSR1KDM4EPOLB
SCHEMBL21765759 0.69 CA1 (0.52) ALDH1A1TSHRP2RX4
SCHEMBL29749478 0.67 MEN1 (0.63) ALDH1A1TSHRNPSR1KDM4EPOLB
SCHEMBL149177 0.67 MEN1 (0.63) ALDH1A1TSHRNPSR1KDM4EPOLB
SCHEMBL30039386 0.67 MEN1 (0.63) ALDH1A1TSHRNPSR1KDM4EPOLB

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-2426178-A1 Active energy ray-curable ink composition, inkjet recording method, and inkjet printed article Fujifilm Corporation (JP) 2012-03-07 — — EP disclosed
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