SCHEMBL28524217

SCHEMBL28524217

OC1(c2ccccc2)CC=CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 11/20 0.47
▸ OPRM1 P35372 8/20 0.47
▸ OPRK1 P41145 6/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ OPRD1 P41143 4/20 0.42
▸ POLB P06746 1/20 0.41
▸ GRIN2B Q13224 3/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ SIGMAR1 Q99720 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
SCHEMBL19458977 0.84 OPRL1 (0.47) OPRL1OPRM1OPRK1HDAC4OPRD1
SCHEMBL7815717 0.78 OPRL1 (0.68) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL10060840 0.78 OPRL1 (0.68) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL34468465 0.78 OPRL1 (0.50) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL7737678 0.75 OPRM1 (0.42) OPRL1OPRM1OPRK1OPRD1
SCHEMBL1109741 0.74 OPRL1 (0.57) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL1724862 0.74 OPRL1 (0.57) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL42581 0.73 OPRL1 (0.52) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL13605139 0.72 OPRL1 (0.61) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL16823462 0.72 OPRL1 (0.45) OPRL1OPRM1OPRK1OPRD1POLB

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-112358457-B Method for synthesizing chiral endocyclic lactone 武汉大学 2022-07-05 — — CN disclosed
CN-112358457-A Method for synthesizing chiral endocyclic lactone 武汉大学 2021-02-12 — — CN disclosed
Send feedback