SCHEMBL9817289

SCHEMBL9817289

O=C(Cc1ccccc1O)OCC#CI

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.49
HSPA5 P11021 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PAM P19021 1/20 0.37
TYR P14679 1/20 0.36
IDO1 P14902 2/20 0.36
PKM P14618 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 2/20 0.35
USP2 O75604 1/20 0.35
TTR P02766 1/20 0.35
CYP2C9 P11712 1/20 0.35
TBXA2R P21731 1/20 0.35

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
SCHEMBL9817277 0.85 CYP4F2 (0.47) AKR1B1TYRPKMTAAR1
SCHEMBL10789794 0.83 KMT2A (0.42) KMT2AMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL9817397 0.80 KMT2A (0.44) AKR1B1HSPA5KMT2AMEN1MAPT
SCHEMBL10784313 0.79 ALDH1A1 (0.58) AKR1B1KMT2AALDH1A1SMN1; SMN2PAM
SCHEMBL10784250 0.79 CAMK2A (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL10627434 0.78 AKR1B1 (0.61) AKR1B1HSPA5KMT2AMEN1MAPT
SCHEMBL9817230 0.76 L3MBTL1 (0.49) MAPTLMNAALDH1A1SMN1; SMN2USP2
SCHEMBL9817283 0.76 ITGA4 (0.41) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL1009146 0.75 PKM (0.58) AKR1B1ALDH1A1SMN1; SMN2PKMTSHR
SCHEMBL29592621 0.75 PKM (0.58) AKR1B1ALDH1A1SMN1; SMN2PKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0248213-B1 HYDROXYPHENYL- AND HYDROXYPHENOXYALKANOIC ACID IODOPROPARGYL ESTERS THE DOW CHEMICAL COMPANY (US) 1991-10-30 EP disclosed
US-4731466-A FUNGICIDES THE DOW CHEMICAL COMPANY (US) 1988-03-15 US disclosed
EP-0248213-A2 Hydroxyphenyl- and hydroxyphenoxyalkanoic acid iodopropargyl esters THE DOW CHEMICAL COMPANY (US) 1987-12-09 EP disclosed