SCHEMBL9549355

SCHEMBL9549355

CCCCCCCCCCCCOC(C)N(C(C)OCCCCCCCCCCCC)C(C)OCCCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.48
SPHK1 Q9NYA1 1/20 0.40
THRB P10828 2/20 0.38
TSHR P16473 1/20 0.38
LPAR1 Q92633 5/20 0.37
LPAR3 Q9UBY5 5/20 0.37
LPAR2 Q9HBW0 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
USP2 O75604 1/20 0.36

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
SCHEMBL18129790 1.00 DNM1 (0.48) DNM1SPHK1THRBTSHRLPAR1
SCHEMBL10867602 0.87 SPHK1 (0.43) DNM1SPHK1THRBLPAR1LPAR3
SCHEMBL7796954 0.85 SPHK1 (0.41) DNM1SPHK1THRBLPAR1LPAR3
SCHEMBL28798377 0.84 SPHK1 (0.47) DNM1SPHK1THRBTSHRLPAR1
SCHEMBL4602671 0.84 SPHK1 (0.47) DNM1SPHK1THRBTSHRLPAR1
SCHEMBL9807770 0.84 SPHK1 (0.47) DNM1SPHK1THRBTSHRLPAR1
SCHEMBL10726362 0.84 DNM1 (0.47) DNM1SPHK1THRBTSHRLPAR1
SCHEMBL4604464 0.84 SPHK1 (0.47) DNM1SPHK1THRBTSHRLPAR1
SCHEMBL537920 0.82 DNM1 (0.45) DNM1SPHK1THRBTSHRLPAR1
Hydrochloric Acid SCHEMBL7902390 0.82 DNM1 (0.50) DNM1SPHK1THRBTSHRLPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288515-B1 QUATERNIZED NITROGEN CONTAINING COMPOUNDS ISP INVESTMENTS INC. (US) 1993-05-05 EP disclosed
EP-0288515-A4 QUATERNIZED NITROGEN CONTAINING COMPOUNDS 1990-09-26 EP disclosed
EP-0288515-A1 QUATERNIZED NITROGEN CONTAINING COMPOUNDS. GAF CORP (US) 1988-11-02 EP disclosed
WO-1988002985-A1 QUATERNIZED NITROGEN CONTAINING COMPOUNDS GAF CORPORATION (US) 1988-05-05 WO disclosed
US-4650865-A Process for preparing tertiary ether amines HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1987-03-17 US disclosed