SCHEMBL10337491

SCHEMBL10337491

CCC[CH]CC(CC)CCCCCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 4/20 0.39
CYP3A4 P08684 2/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
DNM1 Q05193 2/20 0.34
OPRM1 P35372 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL10337324 0.92 LMNA (0.45) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL8920401 0.92 LMNA (0.45) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL28834557 0.92 LMNA (0.45) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL28100170 0.92 LMNA (0.45) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL5072593 0.91 ALDH1A1 (0.48) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL12543618 0.88 ALDH1A1 (0.45) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL6704637 0.88 ALDH1A1 (0.45) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL4818495 0.88 ALDH1A1 (0.45) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL2152743 0.88 ALDH1A1 (0.45) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL8205166 0.88 ALDH1A1 (0.45) LMNAALDH1A1TDP1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109775804-A Function degreaser and preparation method thereof 新疆水处理工程技术研究中心有限公司 2019-05-21 CN disclosed
US-4960771-A TRANSDERMAL DELIVERY OF THERAPEUTIC AGENTS; DRUGS, SUNSCREENS, INSECT REPELLENTS, COSMETICS LVMH MOET HENNESSY LOUIS VUITTON, INC. 1990-10-02 US disclosed
EP-0378657-A1 OXAZOLIDINONE PENETRATION ENHANCING COMPOUNDS. RAJADHYAKSHA VITHAL J 1990-07-25 EP disclosed
WO-1990000407-A1 OXAZOLIDINONE PENETRATION ENHANCING COMPOUNDS RAJADHYAKSHA VITHAL J (US) 1990-01-25 WO disclosed