SCHEMBL25753376

SCHEMBL25753376

C=C1CCCC/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.80
SMN1; SMN2 Q16637 3/20 0.80
SREBF1 P36956 1/20 0.80
VDR P11473 8/20 0.73
PGR P06401 2/20 0.73
ADORA3 P0DMS8 2/20 0.73
NR1I2 O75469 1/20 0.73
ABCB11 O95342 1/20 0.73
GC P02774 1/20 0.73
RXRA P19793 1/20 0.73
CHRM3 P20309 1/20 0.73
CNR1 P21554 1/20 0.73
SLC6A2 P23975 1/20 0.73
HTR2C P28335 1/20 0.73
MAPK1 P28482 1/20 0.73
AGTR1 P30556 1/20 0.73
SLC6A4 P31645 1/20 0.73
ADRA1A P35348 1/20 0.73
PTGS2 P35354 1/20 0.73
OPRD1 P41143 1/20 0.73

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
SCHEMBL25753325 1.00 MAPT (0.80) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL21128778 1.00 MAPT (0.80) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL21264751 1.00 MAPT (0.80) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL11977559 1.00 MAPT (0.80) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL12372105 1.00 MAPT (0.80) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL19325454 0.91 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRPGR
Calcifediol Anhydrous SCHEMBL24102681 0.89 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRPGR
Calcifediol Anhydrous SCHEMBL22403256 0.89 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL6403771 0.89 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRPGR
Calcifediol Anhydrous SCHEMBL24571935 0.89 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRPGR

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-3220961-B1 THERAPEUTIC VITAMIN D CONJUGATES EXTEND BIOSCIENCES INC (US) 2023-07-05 EP disclosed