SCHEMBL27166998

SCHEMBL27166998

CCC(=O)OCSc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
ALDH1A1 P00352 7/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MTNR1A P48039 4/20 0.42
MTNR1B P49286 4/20 0.42
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ELANE P08246 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL28145857 0.84 ALDH1A1 (0.49) FFAR1ALDH1A1HPGDNPC1RAB9A
SCHEMBL16594277 0.83 ALDH1A1 (0.43) FFAR1ALDH1A1HPGDNPC1RAB9A
SCHEMBL7117061 0.82 ELANE (0.39) FFAR1ALDH1A1HPGDNPC1RAB9A
SCHEMBL6535141 0.81 FFAR1 (0.47) FFAR1ALDH1A1HPGDNPC1RAB9A
SCHEMBL6248478 0.81 ALDH1A1 (0.52) FFAR1ALDH1A1HPGDNPC1RAB9A
SCHEMBL10401993 0.80 FFAR1 (0.54) FFAR1ALDH1A1HPGDNPC1RAB9A
SCHEMBL9624319 0.80 ALDH1A1 (0.59) FFAR1ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL10401991 0.79 FFAR1 (0.52) FFAR1ALDH1A1HPGDNPC1RAB9A
SCHEMBL6987496 0.77 MTNR1A (0.46) FFAR1ALDH1A1HPGDNPC1RAB9A
SCHEMBL6535462 0.77 FFAR1 (0.43) FFAR1ALDH1A1HPGDNPC1RAB9A

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-4334287-A1 NLRP3 INFLAMMASOME-INHIBITING COMPOUNDS AND THE USE THEREOF Università Degli Studi Di Torino (IT) 2024-03-13 EP disclosed
WO-2022234447-A1 NLRP3 INFLAMMASOME-INHIBITING COMPOUNDS AND THE USE THEREOF UNIVERSITA' DEGLI STUDI DI TORINO (IT) 2022-11-10 WO disclosed