SCHEMBL9867349

SCHEMBL9867349

COc1cccc(OC)c1CCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ CA4 P22748 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL16101044 0.79 CA1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL18284583 0.77 HTR2A (0.38) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL8564056 0.74 CA1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL18284622 0.73 AR (0.42) SMN1; SMN2ALDH1A1HTR2ASCN9ATSHR
SCHEMBL5782701 0.72 TP53 (0.46) CA12CA1CA2CA7CA9
SCHEMBL6963550 0.72 TAAR1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL9166541 0.72 CA1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL9317755 0.72 CA1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL9166538 0.72 CA1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL28045176 0.72 CA1 (0.46) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5032606-A Novel fluorinated resorcinol ethers and their use as anti-allergics and anti-inflammatories CIBA-GEIGY CORPORATION (US) 1991-07-16 — — US disclosed
EP-0222961-B1 RESORCINOL ETHERS CIBA-GEIGY AG (CH) 1989-09-20 — — EP disclosed
US-4820726-A Oxaloamino substituted fluorinated resorcinol ethers and anti-allergic and anti-inflammatory use thereof CIBA-GEIGY CORPORATION (US) 1989-04-11 — — US disclosed
US-4670604-A Novel fluorinated resorcinol ethers CIBA-GEIGY CORPORATION (US) 1987-06-02 — — US disclosed
EP-0222961-A1 Resorcinol ethers CIBA-GEIGY AG (CH) 1987-05-27 — — EP disclosed
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