SCHEMBL18525261

SCHEMBL18525261

OCCOc1cccc(I)c1OCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 3/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 1/20 0.41
ALOX15 P16050 1/20 0.41
ACHE P22303 1/20 0.41
KCNH2 Q12809 1/20 0.41
HIF1A Q16665 1/20 0.41
IDO1 P14902 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
JAK2 O60674 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 2/20 0.35
CYP1A2 P05177 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
SCHEMBL8264551 0.88 ALDH1A1 (0.46) ALDH1A1RECQLTSHRIDO1L3MBTL1
SCHEMBL8897368 0.86 LMNA (0.52) ALDH1A1RECQLTSHRLMNACHRM2
SCHEMBL2821419 0.85 KCNH2 (0.41) TSHRLMNACHRM2CHRM1ALOX15
SCHEMBL91232 0.82 ALDH1A1 (0.50) ALDH1A1RECQLLMNAIDO1SMN1; SMN2
SCHEMBL30350708 0.81 CHRM2 (0.49) ALDH1A1TSHRLMNACHRM2CHRM1
SCHEMBL19510572 0.81 CHRM2 (0.49) ALDH1A1TSHRLMNACHRM2CHRM1
SCHEMBL3713210 0.79 SMN1; SMN2 (0.59) ALDH1A1TSHRLMNAL3MBTL1SMN1; SMN2
SCHEMBL8368458 0.78 LMNA (0.50) ALDH1A1RECQLTSHRLMNACHRM2
SCHEMBL1114869 0.78 CHRM2 (0.46) TSHRLMNACHRM2CHRM1ALOX15
SCHEMBL307639 0.77 CYP1A2 (0.43) ALDH1A1RECQLTSHRLMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3290470-B1 THERMOPLASTIC MOULDING MATERIALS LANXESS DEUTSCHLAND GMBH (DE) 2021-07-14 EP disclosed
EP-3239228-B1 COMPOSITIONS OF POLYBUTYLENE TEREPHTHALATE LANXESS DEUTSCHLAND GMBH (DE) 2020-09-23 EP disclosed
EP-3290469-A1 THERMOPLASTIC MOULDING MATERIALS LANXESS Deutschland GmbH (DE) 2018-03-07 EP disclosed
EP-3290470-A1 THERMOPLASTIC MOULDING MATERIALS LANXESS Deutschland GmbH (DE) 2018-03-07 EP disclosed
EP-3133112-A1 Thermoplastic moulding matters LANXESS Deutschland GmbH (DE) 2017-02-22 EP disclosed