SCHEMBL27720544

SCHEMBL27720544

C1=CC(c2ccccc2)OCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 7/20 0.59
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 2/20 0.35
ADRA1A P35348 2/20 0.35
SLC6A3 Q01959 2/20 0.35
HTR2B P41595 1/20 0.35
HTR1A P08908 2/20 0.34
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOA P21397 5/20 0.31
MAOB P27338 5/20 0.31
KDM1A O60341 4/20 0.31
CYP2B6 P20813 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL17754470 0.78 TSHR (0.44) CYP2C19TSHRMEN1KMT2ASLC6A2
SCHEMBL7355394 0.78 TSHR (0.44) CYP2C19TSHRMEN1KMT2ASLC6A2
SCHEMBL2696545 0.78 TSHR (0.44) CYP2C19TSHRMEN1KMT2ASLC6A2
SCHEMBL8241086 0.75 DRD2 (0.42) CYP2C19TSHRMAOAMAOBKDM1A
SCHEMBL16969461 0.71 TSHR (0.41) CYP2C19TSHRMEN1KMT2ASLC6A2
SCHEMBL16402527 0.71 KDM1A (0.42) CYP2C19SLC6A2SLC6A3SMN1; SMN2KDM1A
SCHEMBL16402526 0.71 KDM1A (0.42) CYP2C19SLC6A2SLC6A3SMN1; SMN2KDM1A
SCHEMBL11380274 0.68 CYP2C19 (0.47) CYP2C19TSHRMEN1KMT2ASLC6A2
SCHEMBL17104871 0.67 TSHR (0.41) CYP2C19TSHRMEN1KMT2ASLC6A2
SCHEMBL5971580 0.64 TSHR (0.42) CYP2C19TSHRMEN1KMT2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063420-A Method for preparing 3, 6-dihydro-2H pyran compounds from olefin and formaldehyde 中国科学院大连化学物理研究所 2024-05-24 CN disclosed
CN-116943710-B Metal supported catalyst, preparation method and application thereof in Diels-Alder reaction 山东新和成药业有限公司 2023-12-05 CN disclosed
CN-116943710-A Metal supported catalyst, preparation method and application thereof in Diels-Alder reaction 山东新和成药业有限公司 2023-10-27 CN disclosed
CN-108610317-B Synthetic method of 3, 6-dihydropyran derivative 沅江华龙催化科技有限公司 2020-06-05 CN disclosed
CN-108440474-B Synthesis method of dihydropyran derivative 沅江华龙催化科技有限公司 2020-06-02 CN disclosed
CN-100540545-C 5, the preparation method of 6-dihydro-pyrans and derivative thereof ZHEJIANG NHU CO LTD (CN) 2009-09-16 CN disclosed
CN-101143860-A 5,6-dihydropyrane and preparation method for derivative thereof ZHEJIANG NHU CO LTD (CN) 2008-03-19 CN disclosed