SCHEMBL10743702

SCHEMBL10743702

COC(=O)c1cc(C(F)(F)F)ccc1SCC=C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.44
▸ HTT P42858 1/20 0.41
▸ POLB P06746 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ MRGPRX4 Q96LA9 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ FKBP1A P62942 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ P2RX1 P51575 1/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KCNK3 O14649 1/20 0.37
▸ KCNQ3 O43525 1/20 0.37
▸ KCNQ2 O43526 1/20 0.37
▸ NR1I2 O75469 1/20 0.36
▸ ADRB1 P08588 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
SCHEMBL11773094 0.83 RAB9A (0.49) CFTRHTTPOLBGAAMRGPRX4
SCHEMBL10745596 0.80 L3MBTL1 (0.49) CFTRHTTPOLBGAAMRGPRX4
SCHEMBL10835052 0.76 KCNQ3 (0.46) CFTRPOLBGAAMRGPRX4HSD17B10
SCHEMBL11703013 0.76 KCNQ3 (0.53) CFTRHTTPOLBGAAMRGPRX4
SCHEMBL10741661 0.74 MAPT (0.53) CFTRHTTGAAMRGPRX4LMNA
SCHEMBL10744540 0.74 CFTR (0.47) CFTRHTTPOLBGAAMRGPRX4
SCHEMBL3269027 0.73 PPARD (0.50) —
SCHEMBL3269029 0.73 PPARD (0.50) —
SCHEMBL10747092 0.72 CFTR (0.48) CFTRHTTGAAMRGPRX4CYP1A2
SCHEMBL10741387 0.72 L3MBTL1 (0.47) CFTRHTTGAAMRGPRX4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4663344-A ANTIPYRETICS, ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1987-05-05 — — US disclosed
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