SCHEMBL21670599

SCHEMBL21670599

CCCCCOc1ccc(-c2cc(-c3ccc(Nc4ccccc4)cc3)cc(-c3ccc(OCCCCC)cc3OCCCCC)n2)c(OCCCCC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.42
PTPN1 P18031 2/20 0.41
LTB4R Q15722 1/20 0.39
PDK2 Q15119 2/20 0.39
LTA4H P09960 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GCGR P47871 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL30526014 1.00 PTPN11 (0.42) PTPN11PTPN1LTB4RPDK2LTA4H
SCHEMBL30525990 0.99 PTPN11 (0.43) PTPN11PTPN1LTB4RPDK2FAAH
SCHEMBL21670554 0.99 PTPN11 (0.43) PTPN11PTPN1LTB4RPDK2FAAH
SCHEMBL30525977 0.98 CYP2D6 (0.40) PTPN11PTPN1LTB4RKDM4ESMN1; SMN2
SCHEMBL21670573 0.98 CYP2D6 (0.40) PTPN11PTPN1LTB4RKDM4ESMN1; SMN2
SCHEMBL21670564 0.93 MAPT (0.41) KDM4ESMN1; SMN2GCGRLMNATP53
SCHEMBL30525984 0.93 MAPT (0.41) KDM4ESMN1; SMN2GCGRLMNATP53
SCHEMBL29048648 0.89 CYP2D6 (0.43) PTPN11PTPN1LTA4HGCGRCYP1A2
SCHEMBL21670577 0.89 KDM4E (0.41) PTPN11KDM4ESMN1; SMN2GCGRLMNA
SCHEMBL30526003 0.89 KDM4E (0.41) PTPN11KDM4ESMN1; SMN2GCGRLMNA

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
EP-3608386-B1 REVERSIBLY THERMOCHROMIC COMPOSITION, AND REVERSIBLY THERMOCHROMIC MICROCAPSULE PIGMENT HAVING SAME ENCLOSED THEREIN PILOT INK CO LTD (JP) 2025-02-19 EP disclosed
US-11060018-B2 Reversibly thermochromic composition and reversibly thermochromic microcapsule pigment encapsulating the same THE PILOT INK CO., LTD. (JP) 2021-07-13 US disclosed
US-20200048542-A1 REVERSIBLY THERMOCHROMIC COMPOSITION AND REVERSIBLY THERMOCHROMIC MICROCAPSULE PIGMENT ENCAPSULATING THE SAME THE PILOT INK CO., LTD. (JP) 2020-02-13 US disclosed
EP-3608386-A1 REVERSIBLY THERMOCHROMIC COMPOSITION, AND REVERSIBLY THERMOCHROMIC MICROCAPSULE PIGMENT HAVING SAME ENCLOSED THEREIN The Pilot Ink Co., Ltd (JP) 2020-02-12 EP disclosed