SCHEMBL11568718

SCHEMBL11568718

CC(=O)OC(CNc1ccccc1Cl)COc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ MAPT P10636 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ MTNR1A P48039 3/20 0.44
▸ MTNR1B P49286 3/20 0.44
▸ THRB P10828 2/20 0.43
▸ AR P10275 1/20 0.40
▸ KCNA5 P22460 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
SCHEMBL11574023 0.88 NPC1 (0.46) NPC1RAB9APOLBMTNR1AMTNR1B
SCHEMBL11574421 0.86 TDP1 (0.51) NPC1RAB9AMAPTPOLBMTNR1A
SCHEMBL11575467 0.86 SMN1; SMN2 (0.41) NPC1RAB9AMAPTPOLB
SCHEMBL11570598 0.84 MAPT (0.51) NPC1RAB9AMAPTPOLBMTNR1A
SCHEMBL11571517 0.84 SMN1; SMN2 (0.39) NPC1RAB9AMAPT
SCHEMBL11574037 0.83 ALDH1A1 (0.52) NPC1RAB9AMAPTPOLBMTNR1A
SCHEMBL3364884 0.79 POLB (0.60) MAPTPOLBMTNR1AMTNR1BTHRB
Water SCHEMBL11565814 0.79 MAPT (0.50) MAPTPOLBAR
SCHEMBL11569315 0.78 ADRB2 (0.42) NPC1RAB9AMAPT
SCHEMBL11725068 0.77 TP53 (0.46) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4152114-A POLYESTERS CIBA-GEIGY AG (CH) 1979-05-01 — — US disclosed
US-4099909-A POLYESTERS CIBA-GEIGY AG (CH) 1978-07-11 — — US disclosed
US-3963431-A POLYESTER CIBA-GEIGY AG (CH) 1976-06-15 — — US disclosed
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