SCHEMBL8418135

SCHEMBL8418135

CC(C)(C)c1ccc(C(O)CCCCl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
KCNH2 Q12809 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
CACNA1F O60840 1/20 0.45
GMNN O75496 1/20 0.45
USP2 O75604 1/20 0.45
EGFR P00533 1/20 0.45
CYP1A2 P05177 1/20 0.45
FYN P06241 1/20 0.45
CHRM2 P08172 1/20 0.45
ABCB1 P08183 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CHRM1 P11229 1/20 0.45

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
SCHEMBL17023787 1.00 LMNA (0.45) LMNAKCNH2MEN1NPC1CACNA1F
SCHEMBL8418142 1.00 LMNA (0.45) LMNAKCNH2MEN1NPC1CACNA1F
SCHEMBL6055419 0.83 LMNA (0.46) LMNAKCNH2MEN1NPC1CACNA1F
SCHEMBL6827541 0.83 LMNA (0.46) LMNAKCNH2MEN1NPC1CACNA1F
SCHEMBL2453332 0.82 LMNA (0.51) LMNAKCNH2MEN1NPC1CACNA1F
SCHEMBL9234803 0.82 RIPK1 (0.37) LMNAKCNH2MEN1NPC1CACNA1F
SCHEMBL9235767 0.82 RIPK1 (0.37) LMNAKCNH2MEN1NPC1CACNA1F
SCHEMBL9235978 0.82 RIPK1 (0.37) LMNAKCNH2MEN1NPC1CACNA1F
SCHEMBL24298369 0.81 LMNA (0.45) LMNAKCNH2MEN1NPC1CACNA1F
SCHEMBL3187891 0.81 LMNA (0.45) LMNAKCNH2MEN1NPC1CACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118620972-A Application of halohydrin dehalogenase in catalytic synthesis of chiral tetrahydrofuran compound 南京工业大学 2024-09-10 CN claimed
CN-118222538-B Halohydrin dehalogenase mutant and application thereof 南京工业大学 2024-09-20 CN disclosed
CN-118620972-A Application of halohydrin dehalogenase in catalytic synthesis of chiral tetrahydrofuran compound 南京工业大学 2024-09-10 CN disclosed
CN-118222538-A Halohydrin dehalogenase mutant and application thereof 南京工业大学 2024-06-21 CN disclosed
EP-0713848-B1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY (JP) 1999-09-08 EP disclosed
EP-0292735-B1 PROCESS FOR PREPARING ALPHA-(ALKYLPHENYL)-4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINE BUTANOL ERREGIERRE INDUSTRIA CHIMICA Spa (IT) 1992-08-19 EP disclosed
US-5112978-A Preparation of terfenadine ERREGIERRE INDUSTRIA CHIMICA S.P.A. (IT) 1992-05-12 US disclosed
EP-0292735-A1 Process for preparing alpha-(alkylphenyl)-4-(hydroxydiphenylmethyl)-1-piperidine butanol ERREGIERRE INDUSTRIA CHIMICA Spa (IT) 1988-11-30 EP disclosed