SCHEMBL9792189

SCHEMBL9792189

COC(=O)C(CCn1c(Cl)ccc1C(=O)c1ccsc1)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.34
PLAU P00749 1/20 0.34
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HDAC1 Q13547 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
DAO P14920 1/20 0.32
HTR1A P08908 3/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 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
SCHEMBL11058804 0.87 ELANE (0.32) ELANEPLAUHSD17B10TSHRKDM4E
SCHEMBL11082200 0.85 ELANE (0.32) ELANEPLAUHSD17B10TSHRKDM4E
SCHEMBL9792191 0.84 HTT (0.41) ELANEPLAUTSHRKDM4EALDH1A1
SCHEMBL9792203 0.84 KMT2A (0.40) ELANETSHRHPGDLMNA
SCHEMBL9792252 0.82 HPGD (0.43) ALDH1A1HPGDTAS1R3TAS1R1LMNA
SCHEMBL9792318 0.80 HPGD (0.45) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL9792312 0.80 TAS1R3 (0.41) ALDH1A1TAS1R3TAS1R1
SCHEMBL9792213 0.80 TAS1R3 (0.40) ELANEPLAUKDM4EALDH1A1HPGD
SCHEMBL9689339 0.79 MEN1 (0.36) ELANEPLAUHSD17B10TSHRALDH1A1
SCHEMBL9792307 0.78 SMN1; SMN2 (0.40) HSD17B10KDM4EALDH1A1HPGD

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-4988822-A Intermediates for preparing 5-aroyl-1,2-dihydro-3H-pyrrolo(1,2-A)pyrrole-1,1-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1991-01-29 US disclosed
US-4873340-A Process for preparing 5-aroyl-1,2-dihydro-3H-pyrrolo[1,2-A]pyrrole-1,1-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1989-10-10 US disclosed