SCHEMBL22738432

SCHEMBL22738432

Cc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(OCC(O)COC(C)C)cc3O)n2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.40
ADRB1 P08588 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
USP2 O75604 2/20 0.38
NR2E1 Q9Y466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
CDK4 P11802 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
SCHEMBL7128120 0.93 ADRB2 (0.42) ADRB2ADRB1KMT2AMEN1USP2
SCHEMBL9917148 0.88 NPC1 (0.39) ADRB2ADRB1KMT2AMEN1USP2
SCHEMBL20433685 0.88 ADRB2 (0.39) ADRB2ADRB1KMT2AMEN1USP2
SCHEMBL24965403 0.87 KMT2A (0.39) ADRB2ADRB1KMT2AMEN1USP2
SCHEMBL12036694 0.87 ADRB2 (0.40) ADRB2ADRB1KMT2AMEN1USP2
SCHEMBL13412695 0.87 ADRB2 (0.40) ADRB2ADRB1KMT2AMEN1USP2
SCHEMBL12667783 0.87 TSHR (0.43) ADRB2ADRB1KMT2AUSP2SMN1; SMN2
SCHEMBL14457411 0.87 NPC1 (0.39) ADRB2ADRB1KMT2ASMN1; SMN2NPC1
SCHEMBL10330182 0.86 ADRB2 (0.38) ADRB2ADRB1KMT2AMEN1USP2
SCHEMBL14471128 0.86 ADRB2 (0.39) ADRB2ADRB1KMT2AMEN1USP2

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-11186745-B2 Coating composition for golf balls NEXEN CORPORATION (KR) 2021-11-30 US disclosed
US-20200377754-A1 COATING COMPOSITION FOR GOLF BALLS NEXEN CORPORATION (KR) 2020-12-03 US disclosed