SCHEMBL16660342

SCHEMBL16660342

C=CC(=O)OCOc1ccc(C(=O)Oc2ccc3c(c2)C(C)c2cc(OC(=O)c4ccc(OC)cc4)ccc2-3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.40
KMT2A Q03164 7/20 0.38
MAPT P10636 2/20 0.38
GFER P55789 1/20 0.38
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 1/20 0.36
PRSS1 P07477 1/20 0.36
ACR P10323 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL11986163 0.96 KMT2A (0.36) GBA1KMT2AMAPTPRSS1ACR
SCHEMBL5961823 0.94 KMT2A (0.35) GBA1KMT2AMAPTPRSS1ACR
SCHEMBL15480714 0.91 THRB (0.45) KMT2AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL13289441 0.91 KMT2A (0.37) GBA1KMT2AMAPTALDH1A1POLB
SCHEMBL19759250 0.89 MAPT (0.35) KMT2AMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL13226628 0.88 HIF1A (0.34) KMT2AMAPTALDH1A1POLBLMNA
SCHEMBL11986078 0.88 MAPT (0.35) KMT2AMAPTALDH1A1POLBLMNA
SCHEMBL14088490 0.87 KMT2A (0.36) GBA1KMT2AMAPTALDH1A1LMNA
SCHEMBL14588420 0.86 THRB (0.43) KMT2AMAPTALDH1A1POLBLMNA
SCHEMBL18200237 0.86 THRB (0.43) KMT2AMAPTALDH1A1POLBLMNA

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-9505980-B2 Polymerizable liquid crystal composition and optically anisotropic substance having twist alignment JNC CORPORATION (JP) 2016-11-29 US disclosed
US-20150108401-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICALLY ANISOTROPIC SUBSTANCE HAVING TWIST ALIGNMENT JNC CORPORATION (JP) 2015-04-23 US disclosed