SCHEMBL9751572

SCHEMBL9751572

c1ccc(Cc2ccc3c4c(cccc24)-c2ccccc2-3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
ELANE P08246 2/20 0.42
PAX8 Q06710 1/20 0.42
CTSG P08311 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CALM1 P0DP23 1/20 0.41
MAPT P10636 2/20 0.40
CYP1B1 Q16678 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
SCHEMBL10648237 0.78 CRHBP (0.52) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL10645862 0.76 CRHBP (0.50) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL10490096 0.76 PABPC1 (0.50) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL10795218 0.76 CYP1A2 (0.43) PAX8MEN1KMT2AALDH1A1HPGD
SCHEMBL9404195 0.76 PARP1 (0.43) PAX8MEN1KMT2AALDH1A1HPGD
SCHEMBL7292431 0.75 PAX8 (0.39) ELANEPAX8CTSGMEN1KMT2A
SCHEMBL7300968 0.74 CDK5 (0.50) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL18751635 0.73 CRHBP (0.47) CRHBPCRHR2KEAP1NFE2L2KMT2A
SCHEMBL325965 0.73 MEN1 (0.51) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL27917251 0.73 KEAP1 (0.47) CRHBPCRHR2KEAP1NFE2L2ELANE

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-0400066-A4 HEAT-TRANSFER FLUIDS AND PROCESS FOR PREPARING THE SAME 1991-03-20 EP disclosed
EP-0400066-A1 HEAT-TRANSFER FLUIDS AND PROCESS FOR PREPARING THE SAME THE DOW CHEMICAL COMPANY (US) 1990-12-05 EP disclosed
WO-1989007634-A1 HEAT-TRANSFER FLUIDS AND PROCESS FOR PREPARING THE SAME THE DOW CHEMICAL COMPANY (US) 1989-08-24 WO disclosed