SCHEMBL9517912

SCHEMBL9517912

O=C(O)C(CP)(c1ccccc1)c1ccccc1.[Ni]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.45
▸ CHRM2 P08172 2/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ CHRM3 P20309 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ OPRM1 P35372 5/20 0.41
▸ DRD3 P35462 3/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ CYP2D6 P10635 2/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ GRIN2D O15399 2/20 0.38
▸ GRIN1 Q05586 2/20 0.38
▸ GRIN2A Q12879 2/20 0.38
▸ GRIN2B Q13224 2/20 0.38
▸ GRIN2C Q14957 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38

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
SCHEMBL6384616 0.77 CYP1A2 (0.48) CYP1A2CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL10884718 0.76 OPRM1 (0.65) CYP1A2CHRM2CHRM1TSHRCYP2C19
SCHEMBL10683962 0.76 CYP1A2 (0.46) CYP1A2CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL396913 0.76 CHRM2 (0.51) CYP1A2CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL374784 0.76 CYP2C19 (0.57) CYP1A2CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL28483321 0.76 CYP1A2 (0.46) CYP1A2CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL637563 0.76 CYP1A2 (0.46) CYP1A2CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL1310699 0.76 CYP1A2 (0.52) CYP1A2CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL4399206 0.74 CYP1A2 (0.45) CYP1A2CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL4248432 0.74 HIF1A (0.55) CYP1A2CHRM2CHRM1CHRM3ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0327743-B1 PROCEDURE FOR MANUFACTURING SHORT-CHAIN LINEAR ALPHA- OLEFINES FROM ETHYLENE NESTE OY (FI) 1993-01-20 — — EP disclosed
EP-0327743-A1 Procedure for manufacturing short-chain linear alpha- olefines from ethylene NESTE OY (FI) 1989-08-16 — — EP disclosed
US-4816610-A CATALYTIC DIMERIZATION NESTE OY (FI) 1989-03-28 — — US disclosed
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