SCHEMBL11229258

SCHEMBL11229258

O=C(OO)C(C(=O)OO)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.48
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 2/20 0.40
KMT2A Q03164 1/20 0.40
CES1 P23141 1/20 0.39
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 1/20 0.39
CHRM3 P20309 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL4194518 0.81 KCNN4 (0.65) KCNN4CYP1A2ALDH1A1ALOX15MAPT
SCHEMBL9513234 0.79 KCNN4 (0.47) KCNN4CYP1A2ALDH1A1ALOX15MAPT
SCHEMBL11784188 0.79 KCNN4 (0.47) KCNN4CYP1A2ALDH1A1ALOX15MAPT
SCHEMBL9034523 0.77 MAPT (0.57) KCNN4CYP1A2ALDH1A1ALOX15MAPT
SCHEMBL28123187 0.77 ELANE (0.46) KCNN4CYP1A2ALOX15MAPTHSD17B10
SCHEMBL8031407 0.74 KCNN4 (0.47) KCNN4CYP1A2ALDH1A1ALOX15MAPT
SCHEMBL5639395 0.74 PIN1 (0.56) KCNN4ALDH1A1MAPTKMT2ACHRM3
SCHEMBL226184 0.74 CYP1A2 (0.56) KCNN4CYP1A2ALDH1A1ALOX15MAPT
SCHEMBL28553376 0.73 CYP19A1 (0.51) CYP2C19CHRM3CYP3A4CYP2D6LMNA
Tert-Butyl Hydroperoxide SCHEMBL5908603 0.73 KCNN4 (0.60) KCNN4CYP1A2ALDH1A1ALOX15MAPT

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
US-4311785-A Method for the preparation of highly heat-resistant relief structures and the use thereof SIEMENS AKTIENGESELLSCHAFT (DE) 1982-01-19 US claimed
US-4311785-A Method for the preparation of highly heat-resistant relief structures and the use thereof SIEMENS AKTIENGESELLSCHAFT (DE) 1982-01-19 US disclosed