SCHEMBL8424173

SCHEMBL8424173

CCOC(=O)C1(Oc2ccc(Br)cc2)CCOC(CSc2ccccc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ADAM17 P78536 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ DRD4 P21917 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ OPRM1 P35372 2/20 0.33
▸ CXCR3 P49682 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SLC22A1 O15245 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ OPRD1 P41143 1/20 0.32

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
SCHEMBL8423589 0.90 DRD4 (0.41) ALDH1A1HPGDMAPTSMN1; SMN2NPC1
SCHEMBL8424027 0.88 ALDH1A1 (0.36) ALDH1A1HPGDMAPTSMN1; SMN2NPC1
SCHEMBL8423725 0.78 HSD17B10 (0.34) ALDH1A1HPGDMAPTSMN1; SMN2NPC1
SCHEMBL8425466 0.78 DRD4 (0.46) ALDH1A1HPGDMAPTSMN1; SMN2NPC1
SCHEMBL31432963 0.73 HRH2 (0.42) ALDH1A1MAPTSMN1; SMN2NPSR1OPRM1
SCHEMBL15897489 0.72 ACACB (0.44) ALDH1A1MAPTSMN1; SMN2NPSR1OPRM1
SCHEMBL8423700 0.69 HSD11B1 (0.37) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL28603385 0.68 KMT2A (0.49) ALDH1A1HPGDMAPTRAB9ANPSR1
SCHEMBL8424170 0.67 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2L3MBTL1HSD17B10
SCHEMBL28594379 0.65 ELANE (0.49) ALDH1A1HPGDMAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 — — US disclosed
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