SCHEMBL9148347

SCHEMBL9148347

Clc1ccc(OC2C=CCC2)c(I)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
NR1I2 O75469 1/20 0.30
LMNA P02545 1/20 0.30
TTR P02766 1/20 0.30
PGR P06401 1/20 0.30
HSP90AA1 P07900 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
MAPT P10636 1/20 0.30
HSPA5 P11021 1/20 0.30
HPGD P15428 1/20 0.30
CBR1 P16152 1/20 0.30
TBXA2R P21731 1/20 0.30
SLC6A2 P23975 1/20 0.30
AGTR1 P30556 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL9152541 0.81 NPY1R (0.32)
SCHEMBL9146008 0.77
SCHEMBL31276923 0.76 HTR2C (0.41) HTR2CHTR2B
SCHEMBL9145476 0.75
SCHEMBL9145109 0.73
SCHEMBL9146115 0.69 HTR1A (0.30) SLC6A2
SCHEMBL9149989 0.68
SCHEMBL22118209 0.67 TTR (0.47) KMT2ANR1I2LMNATTRPGR
SCHEMBL9152379 0.67
SCHEMBL7314842 0.66 ABL1 (0.42) KMT2ALMNAMAPTSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5420310-A Anticoagulants, antiulcer, antiatherosclerosis agents formed in multistage reaction TORAY INDUSTRIES, INC. (JP) 1995-05-30 US disclosed
EP-0463162-B1 PREPARATION OF 5,6,7-TRINOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES TORAY INDUSTRIES (JP) 1994-05-11 EP disclosed
US-5202447-A Stereospecific TORAY INDUSTRIES, INC. (JP) 1993-04-13 US disclosed
EP-0463162-A1 PREPARATION OF 5,6,7-TRINOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1992-01-02 EP disclosed