SCHEMBL9006494

SCHEMBL9006494

CC(c1ccc(OC(F)=C(F)F)cc1)(c1ccc(OC(F)=C(F)F)cc1)c1ccc(Oc2ccc3oc(=O)ccc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 13/20 0.50
CA12 O43570 12/20 0.50
CA1 P00915 4/20 0.48
CYP2A6 P11509 1/20 0.48
CA4 P22748 2/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MCL1 Q07820 1/20 0.39
ALOX15 P16050 2/20 0.38
PKM P14618 1/20 0.38
CA3 P07451 1/20 0.37
AKR1B1 P15121 1/20 0.37
HPGD P15428 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL9006671 0.92 CA12 (0.49) CA9CA12CA1CA4KDM4E
SCHEMBL9006645 0.83 CA9 (0.66) CA9CA12CA1CYP2A6CA4
SCHEMBL9006578 0.76 CA12 (0.70) CA9CA12CA1CYP2A6CA4
SCHEMBL9006654 0.74 ELANE (0.35) POLBPKMHPGD
SCHEMBL1505720 0.74 MAPT (0.38) TDP1ALDH1A1
SCHEMBL9006400 0.73 CA12 (0.65) CA9CA12CA1CA4KDM4E
SCHEMBL15842520 0.72 CYP2A6 (0.63) CA9CA12CA1CYP2A6CA4
SCHEMBL16283611 0.69 CYP2A6 (0.68) CA9CA12CA1CYP2A6CA4
SCHEMBL12834526 0.68 HSD11B1 (0.43) CA9CA12CA1TDP1ALDH1A1
SCHEMBL8639066 0.68 ESR1 (0.50) KDM4EPOLBTDP1ALDH1A1ALOX15

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-5489623-A APPLYING POLYMER TO SURFACE, EXPOSING TO INCIDENT PHOTONICRADIATION TO RENDER PORTIONS LESS SOLUBLE OR DISPERSIBLE THE DOW CHEMICAL COMPANY (US) 1996-02-06 US claimed
EP-0676062-A1 PHOTODEFINABLE POLYMERS CONTAINING PERFLUOROCYCLOBUTANE GROUPS THE DOW CHEMICAL COMPANY (US) 1995-10-11 EP claimed
US-5426164-A Solvent and chemical resistant coatings and photoresists; photocuring of perfluorovinyl polymers containing photo active sites; cyclization THE DOW CHEMICAL COMPANY (US) 1995-06-20 US claimed
WO-1994015258-A1 PHOTODEFINABLE POLYMERS CONTAINING PERFLUOROCYCLOBUTANE GROUPS THE DOW CHEMICAL COMPANY (US) 1994-07-07 WO claimed
US-5489623-A APPLYING POLYMER TO SURFACE, EXPOSING TO INCIDENT PHOTONICRADIATION TO RENDER PORTIONS LESS SOLUBLE OR DISPERSIBLE THE DOW CHEMICAL COMPANY (US) 1996-02-06 US disclosed
EP-0676062-A1 PHOTODEFINABLE POLYMERS CONTAINING PERFLUOROCYCLOBUTANE GROUPS THE DOW CHEMICAL COMPANY (US) 1995-10-11 EP disclosed
US-5426164-A Solvent and chemical resistant coatings and photoresists; photocuring of perfluorovinyl polymers containing photo active sites; cyclization THE DOW CHEMICAL COMPANY (US) 1995-06-20 US disclosed
WO-1994015258-A1 PHOTODEFINABLE POLYMERS CONTAINING PERFLUOROCYCLOBUTANE GROUPS THE DOW CHEMICAL COMPANY (US) 1994-07-07 WO disclosed