SCHEMBL22498765

SCHEMBL22498765

NCCOCCOCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 1/20 0.46
▸ PRMT6 Q96LA8 1/20 0.46
▸ PRMT8 Q9NR22 1/20 0.46
▸ HTT P42858 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.38
▸ AOC3 Q16853 1/20 0.38
▸ CALM1 P0DP23 1/20 0.38
▸ CAMKK2 Q96RR4 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL31235807 0.96 CARM1 (0.46) CARM1PRMT6PRMT8TSHRABCB1
SCHEMBL22735633 0.95 CARM1 (0.47) CARM1PRMT6PRMT8TSHRABCB1
SCHEMBL12918861 0.91 TSHR (0.45) HTTTSHRABCB1CALM1CAMKK2
SCHEMBL18073542 0.82 CALM1 (0.44) TSHRABCB1CALM1CAMKK2SMN1; SMN2
SCHEMBL7692544 0.82 HTT (0.47) HTTTSHRABCB1
SCHEMBL16081646 0.82 CALM1 (0.41) HTTTSHRABCB1CALM1CAMKK2
SCHEMBL15357270 0.82 CALM1 (0.44) TSHRABCB1CALM1CAMKK2SMN1; SMN2
SCHEMBL10126562 0.82 HTT (0.47) HTTTSHRABCB1
SCHEMBL10138451 0.82 TSHR (0.47) HTTTSHRLTA4HCALM1CAMKK2
SCHEMBL29467599 0.82 CALM1 (0.44) TSHRABCB1CALM1CAMKK2SMN1; SMN2

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-113692269-A Dental composition 登士柏希罗纳有限公司 2021-11-23 — — CN disclosed
WO-2020201525-A1 MULTIFUNCTIONAL COMPOUNDS FOR POLYMER MATRIX GRAFTING KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2020-10-08 — — WO disclosed
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