SCHEMBL25201803

SCHEMBL25201803

CCCCCCCCCCCCc1ccc(C=O)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TSHR P16473 1/20 0.53
EPHX2 P34913 1/20 0.51
HIF1A Q16665 2/20 0.45
EPAS1 Q99814 1/20 0.45
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.43
ALOX5 P09917 2/20 0.41
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
GAA P10253 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
ALOX15 P16050 1/20 0.38
ELANE P08246 3/20 0.37
DNMT1 P26358 1/20 0.37
NPC1 O15118 1/20 0.36
STAT1 P42224 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2903199 1.00 ALDH1A1 (0.53) ALDH1A1TSHREPHX2HIF1AEPAS1
SCHEMBL22230787 1.00 ALDH1A1 (0.53) ALDH1A1TSHREPHX2HIF1AEPAS1
SCHEMBL28524361 1.00 ALDH1A1 (0.53) ALDH1A1TSHREPHX2HIF1AEPAS1
SCHEMBL16901802 1.00 ALDH1A1 (0.53) ALDH1A1TSHREPHX2HIF1AEPAS1
SCHEMBL625752 0.98 ALDH1A1 (0.55) ALDH1A1TSHREPHX2HIF1AEPAS1
SCHEMBL8635202 0.92 ALDH1A1 (0.57) ALDH1A1TSHREPHX2HIF1AEPAS1
SCHEMBL16806596 0.90 ALOX5 (0.50) ALDH1A1TSHREPHX2HIF1AEPAS1
SCHEMBL8640022 0.84 ALDH1A1 (0.61) ALDH1A1TSHREPHX2HTTL3MBTL1
SCHEMBL10878735 0.82 EPHX2 (0.57) ALDH1A1EPHX2HIF1AMAPTALOX5
SCHEMBL3924849 0.82 EPHX2 (0.57) ALDH1A1EPHX2HIF1AMAPTALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051687-A1 MALONATE AND FURAN BASED SURFACTANTS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2025-02-13 US disclosed
EP-4433465-A1 MALONATE AND FURAN BASED SURFACTANTS Nederlandse Organisatie voor toegepast-natuurwetenschappelijk Onderzoek TNO (NL) 2024-09-25 EP disclosed
WO-2023091017-A1 MALONATE AND FURAN BASED SURFACTANTS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2023-05-25 WO disclosed
WO-2023091017-A1 MALONATE AND FURAN BASED SURFACTANTS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2023-05-25 WO disclosed