SCHEMBL22091025

SCHEMBL22091025

COc1ccccc1-c1ccccc1OC(=O)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
LMNA P02545 4/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 2/20 0.55
NR1I2 O75469 1/20 0.55
TP53 P04637 1/20 0.55
AHR P35869 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PRSS1 P07477 1/20 0.51
ACR P10323 1/20 0.51
RECQL P46063 2/20 0.50
SLC6A3 Q01959 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL31321629 0.89 PRSS1 (0.63) KMT2ALMNANPC1RAB9ANR1I2
SCHEMBL16236368 0.87 SLC6A3 (0.65) KMT2AMAPTSMN1; SMN2PRSS1ACR
SCHEMBL22090309 0.84 HTR1A (0.47) KMT2ALMNAMAPTSMN1; SMN2PRSS1
SCHEMBL22090211 0.84 KMT2A (0.54) KMT2ALMNANPC1RAB9ANR1I2
SCHEMBL6881505 0.82 KMT2A (0.59) KMT2ALMNANPC1RAB9ANR1I2
SCHEMBL16238704 0.81 PRSS1 (0.51) KMT2ANPC1RAB9ASMN1; SMN2PRSS1
SCHEMBL22090282 0.80 ESR1 (0.56) KMT2ALMNANPC1RAB9ATP53
SCHEMBL12520418 0.79 PRSS1 (0.73) KMT2AMAPTSMN1; SMN2PRSS1ACR
SCHEMBL8387767 0.79 KMT2A (0.59) KMT2ALMNANPC1RAB9ANR1I2
SCHEMBL22090213 0.78 HPGD (0.59) KMT2ANPC1RAB9ATP53MAPT

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
EP-3894448-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2021-10-20 EP disclosed
WO-2020120227-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2020-06-18 WO disclosed