SCHEMBL11089180

SCHEMBL11089180

CC(=O)OC1Cc2cccc(-n3cccc3)c2C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX12 P18054 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
HSD17B3 P37058 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
SCHEMBL25604498 0.78 CA1 (0.43)
SCHEMBL1573266 0.77 FABP7 (0.38) MTNR1AMTNR1BFABP7FABP5
SCHEMBL11076711 0.76 LMNA (0.38) CYP1A2CYP2C19LMNAALDH1A1POLB
SCHEMBL11076708 0.76 LMNA (0.38) CYP1A2CYP2C19LMNAALDH1A1POLB
SCHEMBL11076717 0.76 LMNA (0.38) CYP1A2CYP2C19LMNAALDH1A1POLB
SCHEMBL25604514 0.75 MTNR1A (0.53) CYP1A2CYP2C9MTNR1AMTNR1BFABP7
SCHEMBL25604499 0.75 MTNR1A (0.41) CYP1A2CYP3A4CYP2C9LMNAALDH1A1
SCHEMBL1196934 0.75 FABP7 (0.50) NOTUMPOLBMTNR1AMTNR1BGABRA1
SCHEMBL30493000 0.75 FABP7 (0.50) NOTUMPOLBMTNR1AMTNR1BGABRA1
SCHEMBL20925930 0.74 MAPK1 (0.39) NOTUMCYP1A2CYP2C19ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4442296-A LARVICIDES FMC CORPORATION (US) 1984-04-10 US disclosed
US-4408057-A 4-Heterocyclic-substituted-2-indanyl alcohols and insecticidal ester derivatives FMC CORPORATION (US) 1983-10-04 US disclosed
US-4368205-A 4-Heterocyclic-substituted-2-indanyl alcohols and insecticidal ester derivatives FMC CORPORATION (US) 1983-01-11 US disclosed