SCHEMBL11612977

SCHEMBL11612977

O=C(O)C[C@H]1[C@H](CO)[C@H](OC(=O)c2ccccc2)C[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
CHRNA7 P36544 2/20 0.40
SLC18A3 Q16572 1/20 0.39
LGALS9 O00182 1/20 0.39
LGALS1 P09382 1/20 0.39
LGALS3 P17931 1/20 0.39
LGALS7; LGALS7B P47929 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38

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
SCHEMBL11496137 1.00 RAB9A (0.46) RAB9AKDM4ENPC1SMN1; SMN2CHRM2
SCHEMBL11496134 1.00 RAB9A (0.46) RAB9AKDM4ENPC1SMN1; SMN2CHRM2
SCHEMBL11607955 1.00 RAB9A (0.46) RAB9AKDM4ENPC1SMN1; SMN2CHRM2
SCHEMBL10959939 1.00 RAB9A (0.46) RAB9AKDM4ENPC1SMN1; SMN2CHRM2
SCHEMBL11870497 1.00 RAB9A (0.46) RAB9AKDM4ENPC1SMN1; SMN2CHRM2
SCHEMBL11611279 1.00 RAB9A (0.46) RAB9AKDM4ENPC1SMN1; SMN2CHRM2
SCHEMBL11479964 0.92 RAB9A (0.56) RAB9AKDM4ENPC1SMN1; SMN2CHRM2
SCHEMBL11483374 0.92 RAB9A (0.56) RAB9AKDM4ENPC1SMN1; SMN2CHRM2
SCHEMBL11493146 0.86 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3HTR3E
SCHEMBL11493141 0.86 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4100355-A 8β,12α-PGE2 -type compounds THE UPJOHN COMPANY (US) 1978-07-11 US disclosed
US-4097675-A 8β, 12α, 15β-PGF2α Compounds THE UPJOHN COMPANY (US) 1978-06-27 US disclosed
US-4095036-A 8β,12α,15β-PGF2 β Compounds THE UPJOHN COMPANY (US) 1978-06-13 US disclosed
US-4084063-A PROSTAGLANDINS; ANTIULCER AGENTS, ANTICOAGULANTS, OXYTOCICS, DECONGESTANTS THE UPJOHN COMPANY (US) 1978-04-11 US disclosed
US-3987085-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-10-19 US disclosed