SCHEMBL9871950

SCHEMBL9871950

COC(=O)C1CCc2sc(C(O)C3CCCCC3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 5/20 0.36
MAPT P10636 2/20 0.36
DHODH Q02127 1/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.33
PKM P14618 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
TBXAS1 P24557 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9836736 0.86 TBXAS1 (0.43) NPC1RAB9AALDH1A1MAPTDHODH
SCHEMBL9837046 0.78 TBXAS1 (0.43) NPC1RAB9AALDH1A1TBXAS1
SCHEMBL9836560 0.71 DHODH (0.34) NPC1RAB9AALDH1A1DHODHMAPK1
SCHEMBL7519445 0.67 KMT2A (0.60) ALDH1A1MAPTKMT2APKM
SCHEMBL9834753 0.64 TBXAS1 (0.45) DHODHTBXAS1
SCHEMBL10439319 0.64 KDM4E (0.45) ALDH1A1KMT2AKDM4E
SCHEMBL4432302 0.63 MTNR1A (0.53) ALDH1A1KMT2A
SCHEMBL29882799 0.63 MTNR1A (0.53) ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL10812638 0.63 KMT2A (0.38) KMT2APKMLMNASLC6A3SMN1; SMN2
SCHEMBL5889332 0.62 FAAH (0.44) ALDH1A1MAPTKMT2AKDM4E

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-5021444-A Anticoagulants SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
US-4847272-A ANTICOAGULANTS SANKYO COMPANY LIMITED (JP) 1989-07-11 US disclosed