SCHEMBL1836833

SCHEMBL1836833

CCCC(C)(C)CCCCCCCCCCC(C)(C)CCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
CPT2 P23786 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
GGPS1 O95749 6/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
FDPS P14324 9/20 0.32
CNR2 P34972 1/20 0.31
CES2 O00748 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
SMPD1 P17405 1/20 0.31

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
SCHEMBL1840079 1.00 FFAR1 (0.42) FFAR1CPT2TDP1TSHRTHRB
SCHEMBL27946423 0.94 TSHR (0.47) FFAR1CPT2TDP1TSHRTHRB
SCHEMBL28111510 0.94 TSHR (0.47) FFAR1CPT2TDP1TSHRTHRB
SCHEMBL8896801 0.94 TSHR (0.47) FFAR1CPT2TDP1TSHRTHRB
SCHEMBL4800227 0.94 TSHR (0.47) FFAR1CPT2TDP1TSHRTHRB
SCHEMBL24268086 0.94 TSHR (0.47) FFAR1CPT2TDP1TSHRTHRB
Ammonia Solution, Strong SCHEMBL27916022 0.91 TSHR (0.44) FFAR1CPT2TDP1TSHRTHRB
SCHEMBL21925320 0.90 TSHR (0.41) FFAR1CPT2TDP1TSHRTHRB
Hydrochloric Acid SCHEMBL27820072 0.89 TSHR (0.42) FFAR1CPT2TDP1TSHRTHRB
SCHEMBL21549958 0.87 TSHR (0.53) FFAR1CPT2TDP1TSHRTHRB

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
EP-1001755-B1 CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNDROME X LTD (IL) 2011-05-11 EP disclosed
CN-101677982-A Combination therapy, composition and methods for the treatment of cardiovascular disorders SYNDROMEX LTD 2010-03-24 CN disclosed
US-6303653-B1 THERAPY OF HEPATOCYTE NUCLEAR FACTOR-4.ALPHA..SUP.1 (HNF-4) MEDIATED DISEASE BY ADMINISTERING CARBOXYLIC ACID OR ITS DERIVATIVE WHICH INHIBITS HNF-4 CONTROLLED TRANSCRIPTION YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-10-16 US disclosed
EP-1001755-A2 CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2000-05-24 EP disclosed
WO-1999000116-A2 CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (US) 1999-01-07 WO disclosed