SCHEMBL9689783

SCHEMBL9689783

CC1(C)OC(=O)C(CCn2cccc2C(=O)c2ccco2)C(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 6/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RECQL P46063 2/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.34
MAPT P10636 5/20 0.34
NPSR1 Q6W5P4 4/20 0.34

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
SCHEMBL9689213 0.83 KMT2A (0.39) RAB9ALMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL8812100 0.82 RECQL (0.50) TSHRRAB9ALMNACYP1A2CYP2C19
SCHEMBL9792282 0.82 SMN1; SMN2 (0.36) TSHRRAB9ALMNACYP1A2CYP2C19
SCHEMBL11062054 0.80 SMN1; SMN2 (0.34) TSHRRAB9ALMNACYP1A2CYP2C19
SCHEMBL9688824 0.80 TSHR (0.38) TSHRRAB9ALMNACYP1A2CYP2C19
SCHEMBL9734727 0.79 CASP3 (0.31)
SCHEMBL9689958 0.78 ALDH1A1 (0.37) LMNAALDH1A1MEN1KMT2ARECQL
SCHEMBL9688851 0.78 NPSR1 (0.48) RAB9ALMNANPC1CYP2C9ALDH1A1
SCHEMBL9689996 0.78 GLA (0.33) TSHRCYP1A2CYP2C19CYP3A4NPSR1
SCHEMBL9690069 0.78 MEN1 (0.34) TSHRLMNACYP1A2CYP2C19ALDH1A1

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
EP-0486807-A1 Process for preparing 5-aroyl-2,3-dihydro-1H-pyrrolizine-1,1-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1992-05-27 EP disclosed
US-5082951-A Process for preparing 5-aroyl-2,3-dihydro-1H-pyrrolizine-1,1-dicarboxylates (I) and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1992-01-21 US disclosed