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Sugi Predict / Compounds / SCHEMBL11540592

SCHEMBL11540592

SCHEMBL11540592

CC(=CCO)c1ccc(-c2ccc(Br)cc2Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.32
▸ CLK1 P49759 2/20 0.31
▸ HSD17B1 P14061 1/20 0.30
▸ SRD5A1 P18405 1/20 0.30
▸ SRD5A2 P31213 1/20 0.30
▸ NQO2 P16083 1/20 0.30

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
SCHEMBL11540590 1.00 ALOX15 (0.32) ALOX15CLK1HSD17B1SRD5A1SRD5A2
SCHEMBL11489699 0.91 ALOX15 (0.31) ALOX15
SCHEMBL11489797 0.84 POLB (0.31) HSD17B1
SCHEMBL11489798 0.84 POLB (0.31) HSD17B1
SCHEMBL6483647 0.83 HAO1 (0.40) NQO2
SCHEMBL6483643 0.83 HAO1 (0.40) NQO2
SCHEMBL6483650 0.83 HAO1 (0.40) NQO2
SCHEMBL11485879 0.82 MTNR1A (0.40) HSD17B1NQO2
SCHEMBL11485877 0.82 MTNR1A (0.40) HSD17B1NQO2
SCHEMBL6365628 0.81 OGG1 (0.42) —

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-4151302-A Araliphatic dihalogen compounds composition and method of use MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-04-24 — — US disclosed
US-4057647-A Araliphatic dihalogen compounds and process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-11-08 — — US disclosed