SCHEMBL29017266

SCHEMBL29017266

CCCCCC(N)(N)CCC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.44
SMPD1 P17405 4/20 0.43
TSHR P16473 3/20 0.39
THRB P10828 1/20 0.39
DNM1 Q05193 5/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX1 P07099 1/20 0.36
GGPS1 O95749 2/20 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
SCHEMBL30081364 0.97 SMPD1 (0.46) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL28410321 0.97 SMPD1 (0.46) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL30081368 0.97 SMPD1 (0.46) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL472258 0.97 SMPD1 (0.46) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL30081375 0.97 SMPD1 (0.46) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL30081372 0.97 SMPD1 (0.46) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL30081404 0.97 SMPD1 (0.46) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL28855102 0.97 SMPD1 (0.46) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL30081382 0.97 SMPD1 (0.46) FDPSSMPD1TSHRTHRBDNM1
SCHEMBL30081428 0.97 SMPD1 (0.46) FDPSSMPD1TSHRTHRBDNM1

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
CN-113042017-B Preparation method of mixed mode liquid chromatographic packing based on single selector 江苏汉德科技有限公司 2023-06-23 CN disclosed
CN-110636839-A Liposomes for inhibiting biofilm formation 康柏辛股份有限公司 2019-12-31 CN disclosed