SCHEMBL11518665

SCHEMBL11518665

CC(C)(C)c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 2/20 0.58
▸ ESR1 P03372 3/20 0.53
▸ ESR2 Q92731 1/20 0.53
▸ HSD17B2 P37059 1/20 0.49
▸ EP300 Q09472 8/20 0.45
▸ MAPT P10636 1/20 0.42
▸ SNCA P37840 1/20 0.42
▸ PTP4A3 O75365 2/20 0.42
▸ CREBBP Q92793 1/20 0.41
▸ PTP4A2 Q12974 1/20 0.40
▸ PTP4A1 Q93096 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TNF P01375 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39

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
SCHEMBL11520044 0.84 HSD17B1 (0.66) HSD17B1ESR1ESR2HSD17B2MAPT
SCHEMBL9755135 0.84 HSD17B1 (0.70) HSD17B1ESR1ESR2HSD17B2MAPT
SCHEMBL11520757 0.84 HSD17B1 (0.58) HSD17B1ESR1ESR2HSD17B2MAPT
SCHEMBL14838269 0.83 HSD17B1 (0.42) HSD17B1ESR1ESR2HSD17B2EP300
SCHEMBL14832743 0.83 SNCA (0.47) HSD17B1ESR1ESR2HSD17B2MAPT
SCHEMBL11521308 0.81 HSD17B1 (0.58) HSD17B1ESR1ESR2HSD17B2MAPT
SCHEMBL11521678 0.81 HSD17B1 (0.58) HSD17B1ESR1ESR2HSD17B2MAPT
SCHEMBL11524663 0.79 HSD17B1 (0.55) HSD17B1ESR1ESR2HSD17B2MAPT
SCHEMBL11522286 0.78 HSD17B1 (0.58) HSD17B1ESR1ESR2HSD17B2MAPT
SCHEMBL11525349 0.78 HSD17B1 (0.58) HSD17B1ESR1ESR2HSD17B2MAPT

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
US-4174405-A MITICIDES UNIROYAL, INC. (US) 1979-11-13 — — US claimed
US-4174405-A MITICIDES UNIROYAL, INC. (US) 1979-11-13 — — US disclosed
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