SCHEMBL18957640

SCHEMBL18957640

C=CCCCOC(=O)CCCCCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
DGKA P23743 2/20 0.67
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
DNM1 Q05193 1/20 0.56
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
NAAA Q02083 1/20 0.52
PAM P19021 2/20 0.51
HTR2C P28335 1/20 0.50
MGLL Q99685 1/20 0.49
MAPT P10636 2/20 0.49
THRB P10828 1/20 0.48
CNR1 P21554 1/20 0.48

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
SCHEMBL4113761 0.98 TSHR (0.64) TSHRDGKAALDH1A1LMNADNM1
SCHEMBL9615678 0.95 TSHR (0.65) TSHRDGKAALDH1A1LMNADNM1
SCHEMBL1856268 0.95 TSHR (0.65) TSHRDGKAALDH1A1LMNADNM1
SCHEMBL3127343 0.95 TSHR (0.65) TSHRDGKAALDH1A1LMNADNM1
SCHEMBL20500825 0.95 TSHR (0.65) TSHRDGKAALDH1A1LMNADNM1
SCHEMBL9852705 0.95 TSHR (0.65) TSHRDGKAALDH1A1LMNADNM1
SCHEMBL8661528 0.95 TSHR (0.65) TSHRDGKAALDH1A1LMNADNM1
SCHEMBL8662076 0.95 TSHR (0.65) TSHRDGKAALDH1A1LMNADNM1
SCHEMBL20869798 0.95 TSHR (0.65) TSHRDGKAALDH1A1LMNADNM1
SCHEMBL21983887 0.95 TSHR (0.65) TSHRDGKAALDH1A1LMNADNM1

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
WO-2017100744-A1 AMINOLIPIDOIDS AND USES THEREOF Preceres Inc. (US) 2017-06-15 WO disclosed