SCHEMBL11991020

SCHEMBL11991020

O=P(c1c(F)c(F)cc(F)c1F)(c1c(F)c(F)cc(F)c1F)c1cc2ccccc2c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.40
GPR84 Q9NQS5 2/20 0.37
PTPN1 P18031 1/20 0.36
TRPM4 Q8TD43 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 3/20 0.34
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
PAX8 Q06710 1/20 0.32
TOP1 P11387 1/20 0.31
MAPK14 Q16539 1/20 0.31
CDC25B P30305 1/20 0.31
LMNA P02545 1/20 0.30
CYP2A6 P11509 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
RAD52 P43351 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
SCHEMBL11990994 0.97 HPRT1 (0.40) HPRT1GPR84PTPN1TRPM4ALDH1A1
SCHEMBL11990999 0.90 GPR84 (0.39) HPRT1GPR84PTPN1TRPM4ALDH1A1
SCHEMBL11991018 0.89 HPRT1 (0.39) HPRT1GPR84PTPN1TRPM4ALDH1A1
SCHEMBL11990996 0.87 GPR84 (0.39) HPRT1GPR84PTPN1TRPM4ALDH1A1
SCHEMBL11991014 0.85 HPRT1 (0.41) HPRT1GPR84PTPN1TRPM4ALDH1A1
SCHEMBL11990995 0.84 HPRT1 (0.40) HPRT1GPR84PTPN1TRPM4ALDH1A1
SCHEMBL11991015 0.84 HPRT1 (0.40) HPRT1GPR84PTPN1TRPM4ALDH1A1
SCHEMBL11991017 0.83 HPRT1 (0.42) HPRT1GPR84PTPN1TRPM4ALDH1A1
SCHEMBL11990991 0.82 HPRT1 (0.41) HPRT1GPR84PTPN1TRPM4ALDH1A1
SCHEMBL9927276 0.81 HPRT1 (0.40) HPRT1GPR84PTPN1TRPM4ALDH1A1

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-20120211082-A1 PHOTOELECTRIC CONVERSION DEVICE AND SOLAR CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-23 US disclosed
US-20120211082-A1 PHOTOELECTRIC CONVERSION DEVICE AND SOLAR CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-23 US disclosed