SCHEMBL5799142

SCHEMBL5799142

CCc1ccc(OC(=O)CC(C)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
ESR1 P03372 2/20 0.44
HIF1A Q16665 2/20 0.44
RECQL P46063 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
OPRK1 P41145 1/20 0.43
PLK1 P53350 1/20 0.43
THRB P10828 1/20 0.41

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
SCHEMBL1206478 0.90 RAB9A (0.57) RAB9AKMT2AALDH1A1LMNAMAPT
SCHEMBL14416710 0.83 RAB9A (0.50) RAB9AKMT2AALDH1A1LMNAMAPT
SCHEMBL3551022 0.82 KMT2A (0.64) RAB9AKMT2AALDH1A1LMNAMAPT
SCHEMBL1512672 0.82 KMT2A (0.63) RAB9AKMT2AALDH1A1LMNAMAPT
SCHEMBL27902979 0.81 KMT2A (0.61) RAB9AKMT2AALDH1A1LMNAMAPT
SCHEMBL10907507 0.81 LMNA (0.61) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL12890380 0.81 SAE1 (0.57) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL16949648 0.81 RAB9A (0.49) RAB9AKMT2AALDH1A1LMNAMAPT
SCHEMBL68678 0.80 LMNA (0.59) RAB9AKMT2AALDH1A1LMNAMAPT
SCHEMBL12732390 0.80 ALDH1A1 (0.79) RAB9AKMT2AALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5092916-A None JP disclosed
WO-2006024885-A1 PROCESS FOR THE PREPARATION OF POLYISOCYANATE/POLYSILICIC ACID BASED POLYADDITION AND HYBRID RESINS USING BLOCKED POLYISO-CYANATES AND BLOCKED POLYISOCYANATES USABLE IN THE PROCESS POLINVENT FEJLESZTO, KIVITELEZO ÉS ÉRTÉKESÍTO KFT (HU) 2006-03-09 WO disclosed
JP-H0592916-A MEDICINE CAPABLE OF SUPPRESSING MELANOGENESIS FOR EXTERNAL USE SANSHO SEIYAKU CO LTD 1993-04-16 JP disclosed