SCHEMBL28994161

SCHEMBL28994161

Cc1ccccc1C1(O)CCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.56
OPRD1 P41143 2/20 0.56
OPRK1 P41145 2/20 0.56
OPRL1 P41146 2/20 0.56
HDAC4 P56524 1/20 0.49
GRIN2B Q13224 7/20 0.42
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD11B1 P28845 1/20 0.38
HSD11B2 P80365 1/20 0.38
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
PDK2 Q15119 1/20 0.37

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
SCHEMBL5349864 0.94 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1HDAC4
SCHEMBL29060516 0.91 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1HDAC4
SCHEMBL12862966 0.82 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1HDAC4
SCHEMBL2270935 0.82 SIGMAR1 (0.62) OPRM1OPRD1OPRK1OPRL1HDAC4
SCHEMBL17888234 0.80 OPRM1 (0.62) OPRM1OPRD1OPRK1OPRL1HDAC4
SCHEMBL11802826 0.80 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1HDAC4
Hydrochloric Acid SCHEMBL8175707 0.80 SIGMAR1 (0.60) OPRM1OPRD1OPRK1OPRL1HDAC4
SCHEMBL8959891 0.80 HTR2A (0.45) OPRM1OPRD1OPRK1OPRL1HDAC4
SCHEMBL19205451 0.79 ALDH1A1 (0.43) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL16777011 0.79 OPRM1 (0.60) OPRM1OPRD1OPRK1OPRL1HDAC4

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-115894141-B Method for synthesizing acyl indene alkane derivative 贺州学院 2023-12-22 CN disclosed
CN-115894141-A Synthesis method of acylindene derivatives 贺州学院 2023-04-04 CN disclosed