Sugi Predict

Sugi Predict / Compounds / Trolamine

Trolamine

Trolamine

SCHEMBL8570865

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)OP(=O)(O)O.OCCN(CCO)CCO

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 5/20 0.54
▸ GGPS1 O95749 6/20 0.43
▸ FDPS P14324 9/20 0.42
▸ LPAR3 Q9UBY5 4/20 0.41
▸ LPAR1 Q92633 3/20 0.41
▸ S1PR2 O95136 1/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ LPAR2 Q9HBW0 2/20 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
SCHEMBL9659297 0.87 SMPD1 (0.69) SMPD1GGPS1FDPSLPAR3LPAR1
SCHEMBL9659284 0.87 SMPD1 (0.69) SMPD1GGPS1FDPSLPAR3LPAR1
SCHEMBL9658964 0.87 SMPD1 (0.69) SMPD1GGPS1FDPSLPAR3LPAR1
SCHEMBL9659055 0.87 SMPD1 (0.69) SMPD1GGPS1FDPSLPAR3LPAR1
SCHEMBL11670984 0.87 SMPD1 (0.69) SMPD1GGPS1FDPSLPAR3LPAR1
SCHEMBL25174113 0.87 SMPD1 (0.69) SMPD1GGPS1FDPSLPAR3LPAR1
SCHEMBL6347597 0.87 SMPD1 (0.69) SMPD1GGPS1FDPSLPAR3LPAR1
SCHEMBL11841083 0.87 SMPD1 (0.69) SMPD1GGPS1FDPSLPAR3LPAR1
SCHEMBL8567245 0.87 SMPD1 (0.69) SMPD1GGPS1FDPSLPAR3LPAR1
SCHEMBL9659339 0.87 SMPD1 (0.69) SMPD1GGPS1FDPSLPAR3LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5783174-A CONTAINING AN AROMATIC KETONE MIXTURES THE PROCTER & GAMBLE COMPANY (US) 1998-07-21 — — US disclosed