SCHEMBL9816839

SCHEMBL9816839

CCCCCCCCCCCCN(CCO)CC(O)CNC(C)CCCCN

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.37
SPHK1 Q9NYA1 1/20 0.35
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
DNM1 Q05193 4/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
EPHX1 P07099 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL9816744 0.81 ANPEP (0.38) GNAI3GNAO1GNAI1DNM1ALDH1A1
SCHEMBL9816831 0.79 KDM4E (0.35) ADRB2
SCHEMBL9576901 0.77 PLA2G1B (0.44) SPHK1PLA2G1BPLA2G2ALMNA
SCHEMBL29234718 0.75 PLA2G1B (0.44) SPHK1PLA2G1BPLA2G2ADNM1ALDH1A1
SCHEMBL7092733 0.75 PLA2G1B (0.44) SPHK1PLA2G1BPLA2G2ADNM1ALDH1A1
SCHEMBL25356241 0.75 DNM1 (0.45) SPHK1PLA2G1BPLA2G2AGNAI3GNAO1
SCHEMBL7095679 0.75 PLA2G1B (0.44) SPHK1PLA2G1BPLA2G2ADNM1ALDH1A1
SCHEMBL9337939 0.75 TRPV1 (0.40) ADRB2SPHK1GNAI3GNAO1GNAI1
SCHEMBL8382119 0.75 KDM4E (0.42) PLA2G1BPLA2G2ADNM1ALDH1A1MEN1
SCHEMBL14833428 0.74 PLA2G1B (0.44) SPHK1PLA2G1BPLA2G2AMEN1KMT2A

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
EP-0273342-B1 1,3-BIS-SUBSTITUTED-2-PROPANOL DERIVATIVES CONTAINING AMINO GROUPS, PROCESSES FOR THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-23 EP disclosed
US-4885392-A Derivatives of 1,3-bissubstituted 2-propanol containing amino groups, methods for their preparation and their use HOECHST AG (DE) 1989-12-05 US disclosed
EP-0273342-A1 1,3-Bis-substituted-2-propanol derivatives containing amino groups, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-06 EP disclosed