SCHEMBL10653348

SCHEMBL10653348

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)COC(=O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.73
MAPT P10636 6/20 0.73
CYP3A4 P08684 5/20 0.73
MEN1 O00255 5/20 0.73
ALOX15 P16050 3/20 0.73
TP53 P04637 3/20 0.73
MAPK1 P28482 3/20 0.73
LMNA P02545 7/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
HIF1A Q16665 1/20 0.72
ESR1 P03372 5/20 0.68
ADORA3 P0DMS8 3/20 0.68
PGR P06401 2/20 0.68
AR P10275 2/20 0.68
PTGS1 P23219 2/20 0.68
PDE3A Q14432 2/20 0.68
ATM Q13315 2/20 0.68
POLB P06746 1/20 0.68
CHRM1 P11229 1/20 0.68
TBXA2R P21731 1/20 0.68

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
SCHEMBL308659 0.90 LMNA (0.76) KMT2AMAPTCYP3A4MEN1ALOX15
SCHEMBL12180360 0.90 LMNA (0.76) KMT2AMAPTCYP3A4MEN1ALOX15
SCHEMBL26659960 0.90 LMNA (0.76) KMT2AMAPTCYP3A4MEN1ALOX15
SCHEMBL21388230 0.89 CA2 (0.68) KMT2AMAPTCYP3A4MEN1ALOX15
SCHEMBL16393393 0.89 CA2 (0.68) KMT2AMAPTCYP3A4MEN1ALOX15
SCHEMBL16393337 0.89 CA2 (0.77) KMT2AMAPTCYP3A4MEN1ALOX15
SCHEMBL10652542 0.88 LMNA (0.80) KMT2AMAPTCYP3A4MEN1ALOX15
SCHEMBL19286796 0.87 MAPT (0.74) KMT2AMAPTCYP3A4MEN1ALOX15
SCHEMBL21388241 0.86 MAPT (0.82) KMT2AMAPTCYP3A4MEN1ALOX15
Estradiol Propionate SCHEMBL28094685 0.86 MAPT (0.96) KMT2AMAPTCYP3A4MEN1ALOX15

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-4780460-A Glycoesters of estradiol and estriol SCHERING AKTIENGESELLSCHAFT (DE) 1988-10-25 US claimed
US-4780460-A Glycoesters of estradiol and estriol SCHERING AKTIENGESELLSCHAFT (DE) 1988-10-25 US disclosed