SCHEMBL11247151

SCHEMBL11247151

C=C1CC[C@@](O)(CC(=O)O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@@H]12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ADRA1A P35348 2/20 0.51
AR P10275 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CYP3A4 P08684 1/20 0.51
USP2 O75604 1/20 0.51
ABCB11 O95342 1/20 0.51
ESR1 P03372 1/20 0.51
HSPD1 P10809 1/20 0.51
PTGS1 P23219 1/20 0.51
HSPE1 P61604 1/20 0.51
TST Q16762 1/20 0.51
VDR P11473 8/20 0.50
NR1I2 O75469 1/20 0.49
PGR P06401 1/20 0.49
HTR1A P08908 1/20 0.49

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
SCHEMBL9455462 0.84 MAPT (0.68) ADRA1AALDH1A1ALOX15CYP3A4ABCB11
SCHEMBL28789260 0.83 ADRA1A (0.53) LMNAADRA1AARALDH1A1ALOX15
SCHEMBL15495022 0.83 ADRA1A (0.61) LMNAADRA1AARALDH1A1ALOX15
SCHEMBL11647330 0.82 MAPT (0.58) ADRA1AALDH1A1ALOX15CYP3A4ABCB11
SCHEMBL13970523 0.81 ADRA1A (0.58) LMNAADRA1AARALDH1A1ALOX15
25-Hydroxyergocalciferol- SCHEMBL12464610 0.80 ALDH1A1 (0.78) LMNAADRA1AARALDH1A1ALOX15
25-Hydroxyergocalciferol- SCHEMBL10034123 0.80 ALDH1A1 (0.78) LMNAADRA1AARALDH1A1ALOX15
25-Hydroxyergocalciferol- SCHEMBL465799 0.80 ALDH1A1 (0.78) LMNAADRA1AARALDH1A1ALOX15
25-Hydroxyergocalciferol- SCHEMBL9933379 0.80 ALDH1A1 (0.78) LMNAADRA1AARALDH1A1ALOX15
25-Hydroxyergocalciferol- SCHEMBL17274134 0.80 ALDH1A1 (0.78) LMNAADRA1AARALDH1A1ALOX15

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
US-4310522-A THICKENED EGG SHELLS COMPRISING CALCIUM SOURCE AND A HYDROXY CHOLECALCIFEROL THE UPJOHN COMPANY (US) 1982-01-12 US disclosed
US-4012509-A HYDROXY-CHOLECALCIFEROLS, -TACHYSTEROLS, -ERGOCALCIFEROLS AND THEIR ACYLATES; EGG SHELL THICKNESS THE UPJOHN COMPANY (US) 1977-03-15 US disclosed