SCHEMBL9735762

SCHEMBL9735762

COCC1(C)Oc2ccc(C#N)cc2C(N2CCCC2=O)=C1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 4/20 0.42
ABCC8 Q09428 2/20 0.42
KCNJ11 Q14654 2/20 0.42
KCNJ8 Q15842 2/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
MALT1 Q9UDY8 1/20 0.36
HTR2A P28223 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
PTGER4 P35408 1/20 0.32
TSHR P16473 1/20 0.32
S1PR2 O95136 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL9737951 0.85 PTGER1 (0.34) MALT1SMN1; SMN2TSHR
SCHEMBL7268407 0.85 ABCC9 (0.47) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9735261 0.83 NR1H4 (0.38) MALT1SMN1; SMN2TSHRHTTCASP3
SCHEMBL9737143 0.82 ALDH1A1 (0.36) LMNACYP2C9SMN1; SMN2TSHRHPGD
SCHEMBL8084457 0.82 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9735603 0.82 PDE4A (0.44) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL10990741 0.80 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9735328 0.78 MAOB (0.33) ABCC9PDE4APDE4BPDE4CPDE4D
SCHEMBL9145523 0.77 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9146756 0.77 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8LMNA

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
US-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed