SCHEMBL28111365

SCHEMBL28111365

CCCCC(C)CSSCC(C)CCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.38
OPRM1 P35372 1/20 0.36
ACE2 Q9BYF1 1/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
FDPS P14324 1/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCZ Q05513 1/20 0.32
PRKCD Q05655 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
SCHEMBL8372957 0.90 ACE2 (0.47) DNM1OPRM1ACE2LMNATSHR
SCHEMBL13974336 0.87 DNM1 (0.33) DNM1OPRM1ACE2ALDH1A1TDP1
SCHEMBL27345756 0.82 TSHR (0.48) LMNATDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL13333421 0.82 TSHR (0.48) LMNATDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL24334659 0.82 TSHR (0.30) DNM1TSHRSMN1; SMN2
SCHEMBL8813653 0.79
SCHEMBL24971345 0.79 ACE2 (0.42) DNM1OPRM1ACE2LMNATSHR
SCHEMBL56652 0.78 LMNA (0.50) DNM1OPRM1ACE2ALDH1A1LMNA
SCHEMBL20649783 0.78 LMNA (0.60) LMNATDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL11238111 0.77 EPHX1 (0.36) DNM1OPRM1ACE2LMNATSHR

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
CN-106103665-A Process for removing sulfur compounds from a hydrocarbon-containing stream 巴斯夫欧洲公司 2016-11-09 CN disclosed