SCHEMBL11090666

SCHEMBL11090666

CC(=O)OC1C[C@@H]2CC(OC(=O)c3ccccc3)C(CO)[C@@H]2C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TSHR P16473 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ APOBEC3A P31941 1/20 0.45
▸ APOBEC3G Q9HC16 1/20 0.45
▸ CHRNA7 P36544 4/20 0.43
▸ HTR3E A5X5Y0 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ HTR3D Q70Z44 1/20 0.43
▸ HTR3C Q8WXA8 1/20 0.43

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
SCHEMBL11083484 0.88 TSHR (0.44) TSHRKMT2AAPOBEC3AAPOBEC3GCHRNA7
SCHEMBL16155136 0.79 RAB9A (0.57) RAB9AKDM4ENPC1SMN1; SMN2APOBEC3A
SCHEMBL10730857 0.79 RAB9A (0.57) RAB9AKDM4ENPC1SMN1; SMN2APOBEC3A
SCHEMBL16072777 0.79 RAB9A (0.57) RAB9AKDM4ENPC1SMN1; SMN2APOBEC3A
SCHEMBL10729081 0.78 RAB9A (0.48) RAB9AKDM4ENPC1SMN1; SMN2TSHR
SCHEMBL11092222 0.77 ABCB1 (0.40) TSHRKMT2AAPOBEC3AAPOBEC3GCHRNA7
SCHEMBL16077026 0.75 RAB9A (0.46) RAB9AKDM4ENPC1SMN1; SMN2TSHR
SCHEMBL16155139 0.75 RAB9A (0.46) RAB9AKDM4ENPC1SMN1; SMN2TSHR
SCHEMBL16072769 0.75 RAB9A (0.46) RAB9AKDM4ENPC1SMN1; SMN2TSHR
SCHEMBL11086753 0.74 BCHE (0.35) TSHRKMT2AAPOBEC3AAPOBEC3GCHRNA7

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-4479966-A 6,9-Methano-PGI2 analogues ONO PHARMACEUTICAL COMPANY, LTD. (JP) 1984-10-30 — — US disclosed
Send feedback