SCHEMBL10548675

SCHEMBL10548675

FC(F)(F)c1cccc(C2(CC(Cl)(Cl)Cl)CO2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.45
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 2/20 0.42
SLC6A2 P23975 1/20 0.42
OPRL1 P41146 5/20 0.41
LMNA P02545 1/20 0.38
KCNN4 O15554 2/20 0.38
CCR2 P41597 1/20 0.38
OPRM1 P35372 3/20 0.36
OPRK1 P41145 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL10560515 0.90 KDM1A (0.44) KDM1ASLC6A4SLC6A3SLC6A2OPRL1
SCHEMBL11827257 0.85 SLC6A4 (0.31) KDM1ASLC6A4
SCHEMBL11684978 0.81 HTR2A (0.41) KDM1ASLC6A4SLC6A3SLC6A2OPRL1
SCHEMBL9577875 0.80 HTR2C (0.41) SLC6A4SLC6A3SLC6A2CCR2
SCHEMBL10549975 0.79 FFAR4 (0.32) SLC6A4
SCHEMBL11682414 0.78 CHRNA1 (0.41) SLC6A4SLC6A3SLC6A2OPRL1LMNA
SCHEMBL11461500 0.78 CHRNA1 (0.40) SLC6A4SLC6A3SLC6A2HCAR3HCAR2
SCHEMBL10486440 0.77 HTR1A (0.36) SLC6A3SLC6A2TSHRMAPK1
SCHEMBL11686171 0.75 SLC6A2 (0.44) KDM1ASLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL10561360 0.73 HTR2C (0.38) SLC6A4SLC6A3SLC6A2CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4018801-A PESTICIDES THE DOW CHEMICAL COMPANY (US) 1977-04-19 US claimed
US-3930835-A PESTICIDAL COMPOSITIONS AND METHODS EMPLOYING SUBSTITUTED OXIRANE COMPOUNDS THE DOW CHEMICAL COMPANY (US) 1976-01-06 US claimed
US-4824475-A CONTAINING GLYCOL SULFONATE OR SULFAMATE THE DOW CHEMICAL COMPANY (US) 1989-04-25 US disclosed
US-4645852-A DECYCLIZATION USING STRONG ACID, THEN REACTING WITH NUCLEOPHILIC AGENT THE DOW CHEMICAL COMPANY (US) 1987-02-24 US disclosed
US-4211549-A HERBICIDES THE DOW CHEMICAL COMPANY (US) 1980-07-08 US disclosed
US-4018801-A PESTICIDES THE DOW CHEMICAL COMPANY (US) 1977-04-19 US disclosed
US-4013772-A HERBICIDES THE DOW CHEMICAL COMPANY (US) 1977-03-22 US disclosed
US-3930835-A PESTICIDAL COMPOSITIONS AND METHODS EMPLOYING SUBSTITUTED OXIRANE COMPOUNDS THE DOW CHEMICAL COMPANY (US) 1976-01-06 US disclosed