SCHEMBL9735602

SCHEMBL9735602

COCC1(C)Oc2ccc(Br)cc2C(N2CCCC2=O)C1(C)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.41
ABCC8 Q09428 2/20 0.41
KCNJ11 Q14654 2/20 0.41
KCNJ8 Q15842 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
IDO1 P14902 8/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
WDR5 P61964 1/20 0.31
POLB P06746 2/20 0.30
TSHR P16473 1/20 0.30
HTR2B P41595 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
SCHEMBL9735947 0.86 ABCC9 (0.39) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9735333 0.86 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9735385 0.86 ABCC9 (0.39) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9736439 0.81 ABCC9 (0.54) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9740635 0.79 IDO1 (0.35) IDO1SMN1; SMN2HTR2B
SCHEMBL9735702 0.73 PBRM1 (0.31) IDO1
SCHEMBL9735711 0.72 ALDH1A1 (0.31) ALDH1A1MEN1KMT2APOLBTSHR
SCHEMBL9735247 0.70 ABCC9 (0.34) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9145536 0.69 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9147952 0.69 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2

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-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed
EP-0415065-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-03-06 EP disclosed