SCHEMBL10894072

SCHEMBL10894072

C=C1/C(=C\C=C2CCC[C@@]3(C)C2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)CC1(O)O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
SREBF1 P36956 1/20 0.78
VDR P11473 9/20 0.77
NR1I2 O75469 1/20 0.77
ABCB11 O95342 1/20 0.77
GC P02774 1/20 0.77
PGR P06401 1/20 0.77
ADORA3 P0DMS8 1/20 0.77
RXRA P19793 1/20 0.77
CHRM3 P20309 1/20 0.77
CNR1 P21554 1/20 0.77
SLC6A2 P23975 1/20 0.77
HTR2C P28335 1/20 0.77
MAPK1 P28482 1/20 0.77
AGTR1 P30556 1/20 0.77
SLC6A4 P31645 1/20 0.77
ADRA1A P35348 1/20 0.77
PTGS2 P35354 1/20 0.77
OPRD1 P41143 1/20 0.77

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
SCHEMBL6345317 0.94 MAPT (0.77) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL6352587 0.94 MAPT (0.77) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL6343719 0.94 MAPT (0.77) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL6345146 0.94 MAPT (0.77) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL26322319 0.93 MAPT (0.78) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL10751492 0.93 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL7058107 0.92 MAPT (0.73) MAPTSMN1; SMN2SREBF1VDRNR1I2
Calcitriol SCHEMBL225412 0.92 VDR (0.83) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL7211135 0.90 MAPT (0.77) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL378182 0.90 MAPT (0.77) MAPTSMN1; SMN2SREBF1VDRNR1I2

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
US-4594340-A Antitumor agent HOFFMANN-LA ROCHE INC. (US) 1986-06-10 US disclosed