SCHEMBL9855168

SCHEMBL9855168

CCCCC1(CC(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
CACNA2D1 P54289 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1B1 P15121 1/20 0.39
OXER1 Q8TDS5 1/20 0.38
GPR84 Q9NQS5 7/20 0.38
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
PTPN1 P18031 2/20 0.38
SLC22A6 Q4U2R8 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
SCHEMBL11838734 0.92 GPR84 (0.45) TSHRALDH1A1AKR1B1OXER1GPR84
SCHEMBL23533422 0.92 GPR84 (0.45) TSHRALDH1A1AKR1B1OXER1GPR84
SCHEMBL27685887 0.92 CYP1A2 (0.52) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL11829345 0.92 GPR84 (0.45) TSHRALDH1A1AKR1B1OXER1GPR84
SCHEMBL528544 0.90 CYP1A2 (0.55) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL244829 0.86 TSHR (0.50) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL8733717 0.84 TSHR (0.48) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL8736846 0.84 TSHR (0.53) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL8735260 0.84 TSHR (0.48) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL23533471 0.84 TSHR (0.44) TSHRALDH1A1CYP1A2USP2LMNA

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-5011947-A Enzyme inhibitors for cholesterol biosythesis BRISTOL-MYERS (US) 1991-04-30 US disclosed