SCHEMBL5593608

SCHEMBL5593608

CC(C(=O)O)c1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.60
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
AKR1C3 P42330 11/20 0.51
AKR1C2 P52895 11/20 0.51
PTGS2 P35354 6/20 0.51
PTGS1 P23219 5/20 0.51
SLC22A6 Q4U2R8 2/20 0.51
CDC42 P60953 1/20 0.51
RAC1 P63000 1/20 0.51
CYP1A2 P05177 1/20 0.51
TSHR P16473 1/20 0.51
MAPT P10636 2/20 0.49
CXCR1 P25024 2/20 0.49
CXCR2 P25025 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RECQL P46063 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL28540948 0.86 AKR1B1 (0.58) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL30717241 0.79 AKR1B1 (0.69) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL4679446 0.79 AKR1B1 (0.69) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL1217681 0.79 AKR1B1 (0.69) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL12431128 0.79 AKR1B1 (0.69) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL10025981 0.79 AKR1B1 (0.69) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
Hydrochloric Acid SCHEMBL27401798 0.78 AKR1B1 (0.67) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL28342328 0.77 AKR1C3 (0.55) AKR1B1MEN1KMT2AAKR1C3AKR1C2
SCHEMBL16378713 0.76 UGT2B7 (0.61) AKR1B1MEN1KMT2ACYP1A2TSHR
Pyrene SCHEMBL4782088 0.76 KMT2A (0.50) MEN1KMT2ACYP1A2TSHRMAPT

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
CN-112457487-A Polyamide with pendant optical absorbers and related methods 施乐公司 2021-03-09 CN claimed
CN-112457487-A Polyamide with pendant optical absorbers and related methods 施乐公司 2021-03-09 CN disclosed
CN-112457504-A Light absorbing thermoplastic polymer particles and methods of making and using the same 施乐公司 2021-03-09 CN disclosed
CN-112457485-A Particles comprising polyamides with pendant optical absorbers and related methods 施乐公司 2021-03-09 CN disclosed
WO-2007022263-A1 FLUOROGENIC PROBES FOR MEDIUM CHAIN ACYL-COA DEHYDROGENASE ( MCAD ) THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-02-22 WO disclosed