SCHEMBL21358600

SCHEMBL21358600

OC(COCCC1CCCCC1)COCCC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 1/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ EPHX1 P07099 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL13500027 0.90 CYP1A2 (0.41) NFE2L2CYP1A2SMN1; SMN2PRMT5WDR77
SCHEMBL13459004 0.90 USP2 (0.46) NFE2L2CYP1A2SMN1; SMN2METAP1PRMT5
SCHEMBL28432329 0.84 HSD17B10 (0.47) NFE2L2CYP1A2SMN1; SMN2METAP1EPHX1
SCHEMBL22560136 0.82 TSHR (0.39) SMN1; SMN2EPHX1ALDH1A1
SCHEMBL13500021 0.81 CYP1A2 (0.48) CYP1A2SMN1; SMN2EPHX1SIGMAR1USP2
SCHEMBL13459028 0.81 USP2 (0.49) CYP1A2SMN1; SMN2EPHX1SIGMAR1USP2
SCHEMBL8743871 0.79 CYP1A2 (0.46) NFE2L2CYP1A2SMN1; SMN2METAP1EPHX1
SCHEMBL11224710 0.79 CYP1A2 (0.46) NFE2L2CYP1A2SMN1; SMN2METAP1EPHX1
SCHEMBL10552449 0.78 USP2 (0.54) CYP1A2EPHX1SIGMAR1USP2
SCHEMBL21938959 0.77 CYP1A2 (0.44) NFE2L2CYP1A2SMN1; SMN2METAP1EPHX1

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-11419357-B2 Foam control DOW GLOBAL TECHNOLOGIES LLC (US) 2022-08-23 — — US disclosed
US-20210244060-A1 FOAM CONTROL DOW GLOBAL TECHNOLOGIES LLC 2021-08-12 — — US disclosed
EP-3684198-B1 FOAM CONTROL DOW GLOBAL TECHNOLOGIES LLC (US) 2021-07-14 — — EP disclosed
EP-3684198-A1 FOAM CONTROL DOW GLOBAL TECHNOLOGIES LLC (US) 2020-07-29 — — EP disclosed
WO-2019177727-A1 FOAM CONTROL DOW GLOBAL TECHNOLOGIES LLC (US) 2019-09-19 — — WO disclosed
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