SCHEMBL9638549

SCHEMBL9638549

Cc1cc(N(CC2CO2)CC2CO2)ccc1-c1ccccc1.c1ccc(-c2ccc(N(CC3CO3)CC3CO3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
OXTR P30559 6/20 0.39
AVPR1A P37288 6/20 0.39
AVPR2 P30518 1/20 0.39
AVPR1B P47901 1/20 0.39
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
LMNA P02545 2/20 0.36
CHRM2 P08172 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPHX1 P07099 1/20 0.33

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
SCHEMBL6353053 0.93 MEN1 (0.38) ESR2OXTRAVPR1AAVPR2AVPR1B
SCHEMBL9480396 0.85 LMNA (0.45) OXTRLMNACHRM2MEN1KMT2A
SCHEMBL1976230 0.84 MEN1 (0.42) ESR2OXTRAVPR1ALMNAMEN1
SCHEMBL29780253 0.84 MEN1 (0.42) ESR2OXTRAVPR1ALMNAMEN1
SCHEMBL14656023 0.80 ALDH1A1 (0.38) OXTRAVPR1ALMNACHRM2MEN1
SCHEMBL1643921 0.79 MEN1 (0.40) LMNACHRM2MEN1KMT2AALDH1A1
SCHEMBL14352937 0.77 LMNA (0.44) LMNACHRM2MEN1KMT2AALDH1A1
Methane SCHEMBL20484194 0.77 MEN1 (0.39) LMNACHRM2MEN1KMT2AALDH1A1
SCHEMBL1644073 0.76 MEN1 (0.43) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL36896 0.75 LMNA (0.54) LMNACHRM2MEN1KMT2AALDH1A1

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
EP-0243161-B1 MICROWAVE-ABSORPTIVE COMPOSITE THE YOKOHAMA RUBBER CO., LTD. (JP) 1992-06-24 EP disclosed
US-4960633-A Microwave-absorptive composite THE YOKOHAMA RUBBER CO., LTD. (JP) 1990-10-02 US disclosed