SCHEMBL10397367

SCHEMBL10397367

CCCCCCCCCCCCC(Cl)COc1ccccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 2/20 0.53
RECQL P46063 1/20 0.53
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 2/20 0.50
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
MAPT P10636 1/20 0.50
OPRK1 P41145 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
PTPN11 Q06124 3/20 0.48
PTK2B Q14289 1/20 0.46

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
SCHEMBL8982668 0.86 KMT2A (0.56) KMT2AMEN1KDM4ERECQLALDH1A1
Hydrochloric Acid SCHEMBL8982703 0.85 KMT2A (0.55) KMT2AMEN1KDM4ERECQLALDH1A1
Hydrochloric Acid SCHEMBL8982638 0.85 KMT2A (0.55) KMT2AMEN1KDM4ERECQLALDH1A1
SCHEMBL8375387 0.84 KMT2A (0.53) KMT2AMEN1KDM4ERECQLALDH1A1
Hydrochloric Acid SCHEMBL8982643 0.82 ALDH1A1 (0.53) KMT2AMEN1KDM4ERECQLALDH1A1
SCHEMBL11044263 0.81 ALDH1A1 (0.58) KMT2AMEN1KDM4ERECQLALDH1A1
SCHEMBL10397687 0.81 PRSS1 (0.53) KMT2AMEN1KDM4ERECQLALDH1A1
Ammonia Solution, Strong SCHEMBL3453382 0.80 KMT2A (0.62) KMT2AMEN1KDM4ERECQLALDH1A1
SCHEMBL3665313 0.80 KMT2A (0.74) KMT2AMEN1KDM4ERECQLALDH1A1
SCHEMBL168816 0.80 KMT2A (0.74) KMT2AMEN1KDM4ERECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4943386-A FERROELECTRIC, GOOD RESPONSE AND MEMORY DAINIPPON INK & CHEMICALS, INC. (JP) 1990-07-24 US disclosed