SCHEMBL11261530

SCHEMBL11261530

CC(C)(F)C(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 6/20 0.67
▸ SRC P12931 1/20 0.48
▸ TDP1 Q9NUW8 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MLYCD O95822 1/20 0.46
▸ TSHR P16473 4/20 0.46
▸ CES2 O00748 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ DAO P14920 1/20 0.46
▸ NAPRT Q6XQN6 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.45

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
SCHEMBL633283 0.86 CES1 (0.67) CES1SRCTDP1CYP3A4MAPT
SCHEMBL8780870 0.84 CES1 (0.64) CES1SRCTDP1MLYCDTSHR
SCHEMBL27459649 0.82 CES1 (0.61) CES1SRCTDP1MLYCDTSHR
SCHEMBL9017510 0.82 CES1 (0.61) CES1SRCTDP1ALOX15MLYCD
SCHEMBL5158726 0.82 CES1 (0.61) CES1SRCTDP1MLYCDTSHR
SCHEMBL3134419 0.81 CES1 (0.60) CES1SRCTDP1CYP3A4MAPT
SCHEMBL13662398 0.80 CES1 (0.59) CES1SRCTDP1ALOX15MLYCD
SCHEMBL7907262 0.80 CES1 (0.73) CES1SRCTDP1MAPK1CYP3A4
SCHEMBL226691 0.80 CES1 (0.58) CES1SRCTDP1MAPK1CYP3A4
SCHEMBL21109870 0.80 CES1 (0.58) CES1SRCTDP1MAPK1CYP3A4

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-4362891-A ANTIINFLAMMATORY AGENTS, DEHYDRATION GLAXO GROUP LIMITED (GB) 1982-12-07 — — US disclosed
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