SCHEMBL28049541

SCHEMBL28049541

C=CCCCCCCCCC(CCC)CCCCC

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.45
CYP3A4 P08684 2/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLA2G2C Q5R387 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DNM1 Q05193 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL9718834 1.00 TSHR (0.67) TSHRALDH1A1LMNACYP3A4USP2
SCHEMBL28049542 1.00 TSHR (0.67) TSHRALDH1A1LMNACYP3A4USP2
SCHEMBL25178897 1.00 TSHR (0.67) TSHRALDH1A1LMNACYP3A4USP2
SCHEMBL25178895 1.00 TSHR (0.67) TSHRALDH1A1LMNACYP3A4USP2
SCHEMBL25172371 0.98 TSHR (0.62) TSHRALDH1A1LMNACYP3A4USP2
SCHEMBL25185574 0.96 TSHR (0.60) TSHRALDH1A1LMNAPLA2G2CDNM1
SCHEMBL9718866 0.96 TSHR (0.60) TSHRALDH1A1LMNAPLA2G2CDNM1
SCHEMBL25182423 0.96 TSHR (0.60) TSHRALDH1A1LMNACYP3A4USP2
SCHEMBL25172413 0.96 TSHR (0.60) TSHRALDH1A1LMNACYP3A4USP2
SCHEMBL25182470 0.96 TSHR (0.58) TSHRALDH1A1LMNACYP3A4USP2

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-103068786-B Cosmetic preparation COGNIS IP MANAGEMENT GMBH (DE) 2016-01-20 CN disclosed