SCHEMBL27143241

SCHEMBL27143241

CCCCc1[nH]nc(CC(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 5/20 0.43
▸ HCAR3 P49019 2/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.31
▸ PBRM1 Q86U86 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TSHR P16473 1/20 0.30

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
SCHEMBL27152985 0.90 KDM4E (0.33) HCAR2KDM4EUSP2HPGDHSD17B10
SCHEMBL27149607 0.87 HCAR2 (0.40) HCAR2HCAR3FFAR1ALDH1A1TSHR
SCHEMBL27141935 0.84 HCAR2 (0.45) HCAR2HCAR3ALDH1A1PBRM1HPGD
SCHEMBL27144214 0.82 HCAR2 (0.44) HCAR2HCAR3ALDH1A1PBRM1TSHR
SCHEMBL27138813 0.82 HCAR2 (0.44) HCAR2HCAR3ALDH1A1PBRM1TSHR
SCHEMBL27144103 0.82 CCNC (0.36) KDM4EUSP2HPGDHSD17B10TSHR
SCHEMBL27154336 0.79 CCNC (0.33) HCAR2TSHR
SCHEMBL27143712 0.79 HCAR2 (0.40) HCAR2HCAR3ALDH1A1HPGDTSHR
SCHEMBL27140283 0.76 HCAR2 (0.41) HCAR2HCAR3FFAR1PBRM1
SCHEMBL27143064 0.75 HCAR2 (0.40) HCAR2HCAR3ALDH1A1HPGDTSHR

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-4326783-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2024-02-28 — — EP disclosed
WO-2022223336-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2022-10-27 — — WO disclosed
Send feedback