SCHEMBL24287714

SCHEMBL24287714

C=C(C)C1CCCN1C(=C)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ UCHL1 P09936 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL14748405 0.83 HSD17B10 (0.58) HSD17B10NPC1SMN1; SMN2TSHRLMNA
SCHEMBL26054412 0.82 HSD17B10 (0.47) HSD17B10NPC1SMN1; SMN2TSHRLMNA
SCHEMBL22296753 0.75 POLB (0.33) HSD17B10LMNACYP2C19POLB
SCHEMBL12520006 0.74 HPGD (0.41) SMN1; SMN2TSHRALDH1A1POLBMEN1
SCHEMBL18576765 0.72 HSD17B10 (0.36) HSD17B10LMNACYP2C19POLB
SCHEMBL18583793 0.72 POLB (0.39) HSD17B10SMN1; SMN2TSHRALDH1A1POLB
SCHEMBL11386799 0.71 FKBP1A (0.44) HSD17B10NPC1SMN1; SMN2TSHRLMNA
SCHEMBL15820254 0.71 ACE (0.40) HSD17B10LMNACYP2C19POLB
SCHEMBL14816941 0.70 HSD17B10 (0.62) HSD17B10NPC1SMN1; SMN2TSHRLMNA
SCHEMBL14845549 0.70 HSD17B10 (0.62) HSD17B10NPC1SMN1; SMN2TSHRLMNA

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
EP-3985002-A1 ARYL, HETEROARY, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS Achillion Pharmaceuticals, Inc. (US) 2022-04-20 — — EP disclosed
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