SCHEMBL9549392

SCHEMBL9549392

CCCCCCCCCCCCCCOCCCCN(C)C

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.71
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
THRB P10828 2/20 0.52
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
LSS P48449 1/20 0.50
SPHK1 Q9NYA1 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CES2 O00748 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.41
NAAA Q02083 1/20 0.40
THRA P10827 1/20 0.40

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
SCHEMBL10580995 1.00 DNM1 (0.71) DNM1ALDH1A1TSHRTHRBMEN1
SCHEMBL34471395 1.00 DNM1 (0.71) DNM1ALDH1A1TSHRTHRBMEN1
SCHEMBL21657553 1.00 DNM1 (0.71) DNM1ALDH1A1TSHRTHRBMEN1
SCHEMBL25601984 0.98 DNM1 (0.67) DNM1ALDH1A1TSHRTHRBMEN1
SCHEMBL5159543 0.95 DNM1 (0.64) DNM1ALDH1A1TSHRTHRBMEN1
SCHEMBL1547966 0.95 DNM1 (0.64) DNM1ALDH1A1TSHRTHRBMEN1
SCHEMBL21657557 0.95 DNM1 (0.64) DNM1ALDH1A1TSHRTHRBMEN1
SCHEMBL10580100 0.95 DNM1 (0.64) DNM1ALDH1A1TSHRTHRBMEN1
SCHEMBL12275607 0.95 DNM1 (0.64) DNM1ALDH1A1TSHRTHRBMEN1
SCHEMBL116357 0.95 DNM1 (0.64) DNM1ALDH1A1TSHRTHRBMEN1

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
US-4830850-A CONDITIONERS, SOFTENERS, PRESERVATIVES GAF CORPORATION (US) 1989-05-16 US 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