SCHEMBL31337396

SCHEMBL31337396

CCCCCC1=C(CO)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PTGS2 P35354 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SHBG P04278 1/20 0.36
TP53 P04637 1/20 0.36
HSPD1 P10809 1/20 0.36
ADRB3 P13945 1/20 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
SCHEMBL11777628 0.98 SCD (0.44) SCDMEN1KMT2AESR1ADRA2A
SCHEMBL11776993 0.98 SCD (0.44) SCDMEN1KMT2AESR1ADRA2A
SCHEMBL11796557 0.98 SCD (0.44) SCDMEN1KMT2AESR1ADRA2A
SCHEMBL11779913 0.98 SCD (0.44) SCDMEN1KMT2AESR1ADRA2A
SCHEMBL6538392 0.89 SCD (0.34) SCDALDH1A1SMN1; SMN2
SCHEMBL678379 0.86 MEN1 (0.42) SCDMEN1KMT2AESR1ADRA2A
SCHEMBL20339953 0.86 MEN1 (0.42) SCDMEN1KMT2AESR1ADRA2A
SCHEMBL822308 0.84 SCD (0.43) SCDMEN1KMT2AESR1ADRA2A
SCHEMBL5346762 0.81 SCD (0.47) SCDMEN1KMT2AESR1ADRA2A
SCHEMBL4452153 0.81 MEN1 (0.36) SCDMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119859321-A Odor-removing temperature-controlling asphalt additive, odor-removing temperature-controlling asphalt and preparation method thereof 中国石油化工股份有限公司 2025-04-22 CN claimed
CN-119859032-A Odor-removing temperature-controlling sand-containing fog sealing layer and preparation method thereof 中国石油化工股份有限公司 2025-04-22 CN claimed
WO-2025043867-A1 ASPHALT ADDITIVE, AND ASPHALT COMPOSITION AND PREPARATION METHOD THEREFOR 中国石油化工股份有限公司 2025-03-06 WO claimed
WO-2025043864-A1 MICROCAPSULE, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国石油化工股份有限公司 2025-03-06 WO claimed
CN-119859032-A Odor-removing temperature-controlling sand-containing fog sealing layer and preparation method thereof 中国石油化工股份有限公司 2025-04-22 CN disclosed
CN-119859321-A Odor-removing temperature-controlling asphalt additive, odor-removing temperature-controlling asphalt and preparation method thereof 中国石油化工股份有限公司 2025-04-22 CN disclosed
WO-2025043867-A1 ASPHALT ADDITIVE, AND ASPHALT COMPOSITION AND PREPARATION METHOD THEREFOR 中国石油化工股份有限公司 2025-03-06 WO disclosed
WO-2025043864-A1 MICROCAPSULE, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国石油化工股份有限公司 2025-03-06 WO disclosed
CN-119552420-A Asphalt additive, asphalt composition and preparation method thereof 中国石油化工股份有限公司 2025-03-04 CN disclosed
CN-119552518-A Microcapsule and preparation method and application thereof 中国石油化工股份有限公司 2025-03-04 CN disclosed