SCHEMBL10349035

SCHEMBL10349035

C=C1CCCCC1=CC=C1CCC[C@]2(C)[C@@H]([C@H](C)OCCC(C)(C)O)CC[C@@H]12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 8/20 0.74
▸ MAPT P10636 3/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ SREBF1 P36956 1/20 0.62
▸ NR1I2 O75469 1/20 0.56
▸ ABCB11 O95342 1/20 0.56
▸ GC P02774 1/20 0.56
▸ PGR P06401 1/20 0.56
▸ ADORA3 P0DMS8 1/20 0.56
▸ RXRA P19793 1/20 0.56
▸ CHRM3 P20309 1/20 0.56
▸ CNR1 P21554 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ HTR2C P28335 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ AGTR1 P30556 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ PTGS2 P35354 1/20 0.56
▸ OPRD1 P41143 1/20 0.56

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
SCHEMBL18023064 0.89 VDR (0.80) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL18021746 0.89 VDR (0.72) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL12517774 0.89 VDR (0.80) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL6037770 0.89 VDR (0.80) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL8769443 0.89 VDR (0.80) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL7161273 0.89 VDR (0.72) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL23464240 0.88 VDR (0.81) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL10405122 0.88 VDR (0.81) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL21128778 0.87 MAPT (0.80) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL21264751 0.87 MAPT (0.80) VDRMAPTSMN1; SMN2SREBF1NR1I2

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-0184112-B1 NOVEL VITAMIN D DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Chugai Seiyaku Kabushiki Kaisha (JP) 1990-05-09 — — EP disclosed
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