SCHEMBL27466833

SCHEMBL27466833

CCCCN(CCCC)OCCC

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
DNM1 Q05193 3/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
HTR1B P28222 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL27354731 0.91
SCHEMBL4873522 0.90 DNM1 (0.46) DNM1TSHRALDH1A1CA12CA1
SCHEMBL28033734 0.89 ADRB2 (0.39) ADRB2ADRB1ADRB3DNM1TSHR
SCHEMBL9766741 0.84 DNM1 (0.40) DNM1TSHRALDH1A1CA12CA1
SCHEMBL5548355 0.82
SCHEMBL4791083 0.81 DNM1 (0.42) DNM1TSHRALDH1A1CA12CA1
SCHEMBL2216829 0.80 ALDH1A1 (0.43) TSHRLMNAALDH1A1ALDH2CA12
SCHEMBL28121801 0.80 DNM1 (0.33) DNM1TSHRLMNAALDH1A1ALDH2
SCHEMBL6679948 0.79 DNM1 (0.46) DNM1TSHRALDH1A1CA12CA1
SCHEMBL27753993 0.76 DNM1 (0.31) DNM1TSHRLMNAALDH1A1ALDH2

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-106265598-A A kind of based on biological functionalized nano silver paclitaxel loaded or the targeted delivery systems of its analog 广东工业大学 2017-01-04 CN claimed
CN-105452232-A Process for the preparation of dronedarone and salts thereof GILEAD SCIENCES INC 2016-03-30 CN claimed
CN-104220413-B Method for producing 4-hydroxybutyl acrylate 大阪有机化学工业株式会社 2018-12-04 CN disclosed
CN-105339341-B Production system for (meth) acrylic acid ester 大阪有机化学工业株式会社 2018-02-13 CN disclosed
CN-107540565-A The preparation of N, N (two) alkyl amino alkyl (methyl) acrylamide or corresponding ester and its quaternary ammonium salt 赢创罗姆有限公司 2018-01-05 CN disclosed
CN-106265598-A A kind of based on biological functionalized nano silver paclitaxel loaded or the targeted delivery systems of its analog 广东工业大学 2017-01-04 CN disclosed
CN-105452232-A Process for the preparation of dronedarone and salts thereof GILEAD SCIENCES INC 2016-03-30 CN disclosed
CN-105339341-A Production system for (meth) acrylic acid ester OSAKA ORGANIC CHEM IND 2016-02-17 CN disclosed
CN-104220413-A Method for producing 4-hydroxybutyl acrylate OSAKA ORGANIC CHEM IND 2014-12-17 CN disclosed
CN-1156961-A Formulations and method for providing prolonged local anesthesia EURO CELTIQUE SA (LU) 1997-08-13 CN disclosed