SCHEMBL11369656

SCHEMBL11369656

COP(=O)(CC(=O)C(C)(C)Oc1ccc(Cl)cc1Cl)OC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL7620864 0.86 SMN1; SMN2 (0.44) SMN1; SMN2HPGDTSHRNPC1RAB9A
SCHEMBL7616018 0.81 PPARA (0.55) SMN1; SMN2HPGDTSHRMAPTTDP1
SCHEMBL15438107 0.78 MAPT (0.49) SMN1; SMN2HPGDTSHRMAPTTDP1
SCHEMBL11516039 0.77 PPARA (0.51) SMN1; SMN2HPGDTSHRMAPTTDP1
SCHEMBL581884 0.75 PPARA (0.59) SMN1; SMN2HPGDTSHRNPC1RAB9A
SCHEMBL8346258 0.75 TDP1 (0.46) SMN1; SMN2HPGDTSHRNPC1RAB9A
SCHEMBL8346256 0.74 TDP1 (0.44) SMN1; SMN2HPGDTSHRNPC1RAB9A
SCHEMBL581322 0.72 TSHR (0.64) SMN1; SMN2HPGDTSHRNPC1RAB9A
SCHEMBL2322156 0.72 ALDH1A1 (0.56) SMN1; SMN2HPGDTSHRNPC1RAB9A
SCHEMBL9255616 0.72 PPARG (0.43) MAPTLMNAKMT2ACYP1A2CYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4304907-A Bicyclo lactone intermediates for prostaglandin analogs THE UPJOHN COMPANY (US) 1981-12-08 US disclosed
US-4303796-A 16-Phenoxy prostaglandin F2α analogs THE UPJOHN COMPANY (US) 1981-12-01 US disclosed
US-4116988-A 16-Phenoxy prostaglandin E1 analogs THE UPJOHN COMPANY (US) 1978-09-26 US disclosed
US-4116989-A 16-Phenoxy prostaglandin F1α analogs THE UPJOHN COMPANY (US) 1978-09-26 US disclosed
US-4087616-A 16-Phenoxy prostaglandin A2 analogs THE UPJOHN COMPANY (US) 1978-05-02 US disclosed
US-3931279-A 5-Oxa prostaglandin F2.sub.α analogs THE UPJOHN COMPANY (US) 1976-01-06 US disclosed