SCHEMBL29820017

SCHEMBL29820017

Cc1c(C)c(O)c(C)c(-c2cccc(O)c2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 12/20 0.48
▸ HSD17B2 P37059 11/20 0.48
▸ CYP3A4 P08684 5/20 0.48
▸ CYP2C9 P11712 3/20 0.48
▸ ACHE P22303 1/20 0.43
▸ CYP2D6 P10635 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2B6 P20813 2/20 0.41
▸ ESR1 P03372 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41

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
SCHEMBL28193538 0.79 SENP1 (0.46) ESR2LMNASENP1
SCHEMBL10678343 0.75 HSD17B1 (0.57) HSD17B1HSD17B2CYP3A4CYP2C9ACHE
SCHEMBL8375599 0.74 SENP1 (0.50) ESR2ALDH1A1LMNASENP1
SCHEMBL22393684 0.74 HSD17B1 (0.50) HSD17B1HSD17B2CYP3A4CYP2C9ACHE
SCHEMBL204572 0.74 CNR2 (0.48) —
SCHEMBL25575178 0.74 SENP1 (0.42) CYP3A4CYP2C9ACHECYP2C19CYP1A2
SCHEMBL205798 0.73 BRD4 (0.53) CA12ALDH1A1CA2CA9
SCHEMBL15397944 0.73 BRD4 (0.55) LMNASENP1
SCHEMBL15397945 0.72 ACMSD (0.47) ALDH1A1CA2
SCHEMBL29000897 0.71 HSD17B1 (0.56) HSD17B1HSD17B2CYP3A4CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957575-A Modified phenolic resin, preparation method thereof and positive photoresist 上海极紫科技有限公司 2022-08-30 — — CN claimed
CN-114957575-A Modified phenolic resin, preparation method thereof and positive photoresist 上海极紫科技有限公司 2022-08-30 — — CN disclosed
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