SCHEMBL7992902

SCHEMBL7992902

COc1cccc(OCCOC(=O)Nc2ccccc2)c1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.78
TP53 P04637 1/20 0.78
NPC1 O15118 7/20 0.74
RAB9A P51151 7/20 0.74
SMN1; SMN2 Q16637 4/20 0.74
TSHR P16473 1/20 0.74
NPSR1 Q6W5P4 1/20 0.65
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
MTNR1B P49286 2/20 0.57
MTNR1A P48039 1/20 0.53
RECQL P46063 1/20 0.52
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
NLRP3 Q96P20 1/20 0.51
USP2 O75604 1/20 0.51

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
SCHEMBL4076346 0.85 NPC1 (1.00) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL17342638 0.81 KMT2A (0.66) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL7980666 0.81 RAB9A (0.74) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL7980860 0.80 NPC1 (0.62) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL3758954 0.79 MTNR1A (0.60) LMNATSHRNPSR1MEN1KMT2A
SCHEMBL7980669 0.79 NPC1 (0.80) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL7994882 0.79 NPC1 (0.80) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL17148053 0.79 NPC1 (0.84) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL24970053 0.78 MTNR1A (0.63) LMNATSHRNPSR1KMT2AMTNR1B
SCHEMBL5623097 0.78 NPC1 (0.68) LMNATP53NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294502-B1 Thermally-responsive record material BAYER AKTIENGESELLSCHAFT (DE) 2001-09-25 US claimed
WO-1999061251-A1 THERMALLY-RESPONSIVE RECORD MATERIAL CONTAINING A CARBAMATE COMPONENT BAYER AKTIENGESELLSCHAFT (DE) 1999-12-02 WO claimed
US-6294502-B1 Thermally-responsive record material BAYER AKTIENGESELLSCHAFT (DE) 2001-09-25 US disclosed
WO-1999061251-A1 THERMALLY-RESPONSIVE RECORD MATERIAL CONTAINING A CARBAMATE COMPONENT BAYER AKTIENGESELLSCHAFT (DE) 1999-12-02 WO disclosed